Halazepam
- Formula: C17H12ClF3N2O
- Molecular weight: 352.738
- IUPAC Standard InChI: InChI=1S/C17H12ClF3N2O/c18-12-6-7-14-13(8-12)16(11-4-2-1-3-5-11)22-9-15(24)23(14)10-17(19,20)21/h1-8H,9-10H2
- IUPAC Standard InChIKey: WYCLKVQLVUQKNZ-UHFFFAOYSA-N
- CAS Registry Number: 23092-17-3
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: 2H-1,4-Benzodiazepin-2-one, 7-chloro-1,3-dihydro-5-phenyl-1-(2,2,2-trifluoroethyl)-; 2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-5-phenyl-1-(2,2,2-trifluoroethyl)-; 7-Chloro-1,3-dihydro-5-phenyl-1-(2,2,2-trifluoroethyl)-2H-1,4-benzodiazepin-2-one; ScH 12041; Schering 12041; Paxipam; 7-Chloro-5-phenyl-1-(2,2,2-trifluoroethyl)-1,3-dihydro-2H-1,4-benzodiazepin-2-one; Halezepam
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Mass spectrum (electron ionization)
Go To: Top, Gas Chromatography, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Spectrum
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Additional Data
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| Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
|---|---|
| Origin | NIST Mass Spectrometry Data Center |
| NIST MS number | 352188 |
Gas Chromatography
Go To: Top, Mass spectrum (electron ionization), References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Kovats' RI, non-polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Capillary | SE-30 | 250. | 2292. | Dimov and Moskovkina, 1991 | |
| Capillary | BP-1 | 250. | 2314. | Japp, Garthwaite, et al., 1988 | 25. m/0.22 mm/0.25 μm, N2 |
| Capillary | DB-1 | 250. | 2292. | Japp, Garthwaite, et al., 1988 | 30. m/0.53 mm/1.5 μm, N2 |
Kovats' RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Cross-Linked Methylsilicone | 2335. | Maurer and Pfleger, 1987 | 12. m/0.2 mm/0.33 μm, He, 100. C @ 3. min, 30. K/min, 310. C @ 5. min |
Kovats' RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | OV-1 | 2335. | Schütz, 1988 | Program: not specified |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | VF-5MS | 2337.1 | Tret'yakov, 2008 | 30. m/0.25 mm/0.25 μm, He; Program: Multi-step temperature program; T(initial)=60C; T(final)=270C |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Packed | SE-30 | 2335. | MHA, 9999 | Nitrogen, Chromosorb G AW DMCS (80-100 mesh); Column length: 2. m; Tstart: 100. C; Tend: 300. C |
| Capillary | BP-1 | 2314. | MHA, 9999 | Tstart: 100. C; Tend: 300. C |
| Capillary | DB-5 | 2314. | Zamechnik, Ethier, et al., 1989 | 15. m/0.25 mm/0.25 μm, He, 150. C @ 1. min, 10. K/min; Tend: 260. C |
References
Go To: Top, Mass spectrum (electron ionization), Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Dimov and Moskovkina, 1991
Dimov, N.; Moskovkina, M.,
New aspects of quantitative structure-retention relationships in chromatography,
J. Chromatogr., 1991, 552, 59-69, https://doi.org/10.1016/S0021-9673(01)95923-0
. [all data]
Japp, Garthwaite, et al., 1988
Japp, M.; Garthwaite, K.; Geeson, A.V.; Osselton, M.D.,
Collection of Analytical Data for Benzodiazepines and Benzophenones,
J. Chromatogr., 1988, 439, 2, 317-339, https://doi.org/10.1016/S0021-9673(01)83844-9
. [all data]
Maurer and Pfleger, 1987
Maurer, H.; Pfleger, K.,
Identification and differentiation of benzodiazepines and their metabolites in urine by computerized gas chromatography-mass spectrometry,
J. Chromatogr., 1987, 422, 85-101, https://doi.org/10.1016/0378-4347(87)80442-5
. [all data]
Schütz, 1988
Schütz, H.,
Modern screening strategies in analytical toxicology with special regard to new benzodiazepines,
Z. Rechtsmed., 1988, 100, 1, 19-37, https://doi.org/10.1007/BF00200362
. [all data]
Tret'yakov, 2008
Tret'yakov, K.V.,
Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2008. [all data]
MHA, 9999
MHA, Directorate of ForensicScience.,
Forensic Toxicology, 9999. [all data]
Zamechnik, Ethier, et al., 1989
Zamechnik, J.; Ethier, J.-C.; Neville, G.A.,
Benzodiazepines- an extensive collection of mass spectra,
J. Can. Soc. Forensic Sci., 1989, 22, 3, 233-259, https://doi.org/10.1080/00085030.1989.10757437
. [all data]
Notes
Go To: Top, Mass spectrum (electron ionization), Gas Chromatography, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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