Acetamide, N-(3-bromophenyl)-
- Formula: C8H8BrNO
- Molecular weight: 214.059
- IUPAC Standard InChI: InChI=1S/C8H8BrNO/c1-6(11)10-8-4-2-3-7(9)5-8/h2-5H,1H3,(H,10,11)
- IUPAC Standard InChIKey: XXHOHJTVFUJJMT-UHFFFAOYSA-N
- CAS Registry Number: 621-38-5
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: Acetanilide, 3'-bromo-; 3-Bromoacetanilide; 3'-Bromoacetanilide; N-(3-Bromophenyl)acetic acid amide
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Gas phase ion energetics data
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: Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
Ionization energy determinations
| IE (eV) | Method | Reference |
|---|---|---|
| 8.6 ± 0.2 | EI | Gamble, Gilbert, et al., 1970 |
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| C6H6NBr+ | 10.6 ± 0.2 | ? | EI | Gamble, Gilbert, et al., 1970 |
Mass spectrum (electron ionization)
Go To: Top, Gas phase ion energetics data, 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 | F.B.Jariwala et al, J. Am. Soc. Mass Spectrom. 19, 1114-1118 (2008) |
| NIST MS number | 370375 |
References
Go To: Top, Gas phase ion energetics data, Mass spectrum (electron ionization), Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Gamble, Gilbert, et al., 1970
Gamble, A.A.; Gilbert, J.R.; Tillett, J.G.,
Substituent effects in the fragmentation of acetanilides,,
J. Chem. Soc. B, 1970, 1231. [all data]
Notes
Go To: Top, Gas phase ion energetics data, Mass spectrum (electron ionization), References
- Symbols used in this document:
AE Appearance energy - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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