Methyl(trifluoromethyl) sulfide
- Formula: C2H3F3S
- Molecular weight: 116.105
- IUPAC Standard InChI: InChI=1S/C4H6F6S/c1-3(5,6,7)11-4(2,8,9)10/h1-2H3
- IUPAC Standard InChIKey: IYAQJPBVLNUHIO-UHFFFAOYSA-N
- CAS Registry Number: 421-16-9
- 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. - Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Options:
Gas phase ion energetics data
Go To: Top, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled as indicated in comments:
LL - Sharon G. Lias and Joel F. Liebman
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 9.90 ± 0.02 | PI | Hagenow, Jochims, et al., 1989 | LL |
| 9.75 ± 0.11 | EI | Cullen, Frost, et al., 1970 | RDSH |
| 9.88 ± 0.03 | PE | Cullen, Frost, et al., 1969 | RDSH |
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| CFS+ | 14.20 ± 0.05 | CH2F+HF | PI | Hagenow, Jochims, et al., 1989 | LL |
| CFS+ | 15.32 ± 0.13 | ? | EI | Cullen, Frost, et al., 1970 | RDSH |
| CF2S+ | 13.4 ± 0.1 | CH3F | PI | Hagenow, Jochims, et al., 1989 | LL |
| CF3+ | 12.75 ± 0.05 | CH3S | PI | Hagenow, Jochims, et al., 1989 | LL |
| CF3+ | 13.07 ± 0.09 | ? | EI | Cullen, Frost, et al., 1970 | RDSH |
| CHS+ | 14.88 ± 0.06 | ? | EI | Cullen, Frost, et al., 1970 | RDSH |
| CH2S+ | ~14. | ? | EI | Cullen, Frost, et al., 1970 | RDSH |
| CH3+ | 14.1 ± 0.1 | SCF3 | PI | Hagenow, Jochims, et al., 1989 | LL |
| CH3+ | 14.24 | ? | EI | Cullen, Frost, et al., 1970 | RDSH |
| CH3S+ | 11.70 ± 0.05 | CF3 | PI | Hagenow, Jochims, et al., 1989 | LL |
| CH3S+ | 11.78 ± 0.03 | ? | EI | Cullen, Frost, et al., 1970 | RDSH |
| C2H3F2S+ | 14.45 ± 0.05 | F | PI | Hagenow, Jochims, et al., 1989 | LL |
| C2H3F2S+ | 15.7 ± 0.24 | F | EI | Cullen, Frost, et al., 1970 | RDSH |
References
Go To: Top, Gas phase ion energetics data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Hagenow, Jochims, et al., 1989
Hagenow, G.; Jochims, H.-W.; Sawatzki, J.; Minkwitz, R.; Baumgartel, H.,
Photoionisationsmassenspektren von methyl(trifluormethyl)sulfan CH3SCF3,
Z. Naturforsch. B:, 1989, 44, 17. [all data]
Cullen, Frost, et al., 1970
Cullen, W.R.; Frost, D.C.; Pun, M.T.,
Mass spectra, appearance potentials, heats of formation, and bond energies of some alkyl and perfluoroalkyl sulfides,
Inorg. Chem., 1970, 9, 1976. [all data]
Cullen, Frost, et al., 1969
Cullen, W.R.; Frost, D.C.; Vroom, D.A.,
Ionization potentials of some sulfur compounds,
Inorg. Chem., 1969, 8, 1803. [all data]
Notes
Go To: Top, Gas phase ion energetics data, References
- Symbols used in this document:
AE Appearance energy - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
- The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
- Customer support for NIST Standard Reference Data products.