C6H6N+ (structure unspecified)
- Formula: C6H6N+
- Molecular weight: 92.1180
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Gas phase ion energetics data
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Reactions leading to C6H6N+ (ion structure unspecified)
| Precursor | AP (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| C6H6BrN | 11.95 | Br | EI | Howe and Williams, 1969 | |
| C6H6BrN | 12.50 | Br | EI | Baldwin, Loudon, et al., 1976 | |
| C6H6ClN | 12.5 ± 0.1 | Cl | EI | Brown, 1970 | |
| C6H6ClN | 12.37 | Cl | EI | Howe and Williams, 1969 | |
| C6H6ClN | 12.3 ± 0.1 | Cl | EI | Brown, 1970 | |
| C6H6ClN | 13.10 | Cl | EI | Baldwin, Loudon, et al., 1976 | |
| C6H6IN | 11.60 | I | EI | Baldwin, Loudon, et al., 1976 | |
| C6H6N2O2 | 11.5 ± 0.1 | NO2 | EI | Brown, 1970, 2 | |
| C6H6N2O2 | 11.2 ± 0.1 | NO2 | EI | Brown, 1970, 2 | |
| C6H7N | 12.2 ± 0.1 | H | EI | Palmer and Lossing, 1963 | |
| C6H7N | 12.3 ± 0.1 | H | EI | Palmer and Lossing, 1963 | |
| C6H7N | 12.4 ± 0.1 | H | EI | Palmer and Lossing, 1963 | |
| C7H7NO2 | 14.8 ± 0.2 | CO+OH | EI | Benoit, 1973 | |
| C7H7NO2 | 14.3 ± 0.2 | CO+OH | EI | Benoit, 1973 | |
| C7H9N | 10.30 | CH3 | PI | Orlov, Boganov, et al., 1985 | |
| C7H9N | 10.30 ± 0.05 | CH3 | PI | Takhistov, Khlebnikova, et al., 1980 | |
| C13H11NO | 15.5 ± 0.3 | ? | EI | Krenmayr, Heller, et al., 1974 | |
| C13H11NO | 15.0 ± 0.3 | ? | EI | Krenmayr, Heller, et al., 1974 | |
| C13H11NO | 14.6 ± 0.2 | ? | EI | Krenmayr, Heller, et al., 1974 |
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.
Howe and Williams, 1969
Howe, I.; Williams, D.H.,
Calculation and qualitative predictions of mass spectra. Mono- and paradisubstituted benzenes,
J. Am. Chem. Soc., 1969, 91, 7137. [all data]
Baldwin, Loudon, et al., 1976
Baldwin, M.A.; Loudon, A.G.; Maccoll, A.; Webb, K.S.,
The nature and fragmentation pathways of the molecular ions of some arylureas, arylthioureas, acetanilides, thioacetanilides and related compounds,
Org. Mass Spectrom., 1976, 11, 1181. [all data]
Brown, 1970
Brown, P.,
Kinetic studies in mass spectrometry-IV. The [M - Cl] reaction in substituted chlorobenzenes and the question of molecular ion isomerization,
Org. Mass Spectrom., 1970, 3, 639. [all data]
Brown, 1970, 2
Brown, P.,
Kinetic studies in mass spectrometry. IX. Competing [M-NO2] and [M-NO] reactions in substituted nitrobenzenes. Approximate activation energies from ionization and appearance potentials,
Org. Mass Spectrom., 1970, 4, 533. [all data]
Palmer and Lossing, 1963
Palmer, T.F.; Lossing, F.P.,
Free radicals by mass spectrometry. XXX. Ionization potentials of anilino and 2-, 3-, and 4-pyridylmethyl radicals,
J. Am. Chem. Soc., 1963, 85, 1733. [all data]
Benoit, 1973
Benoit, F.,
Substituent effects in mass spectrometry. III. Substituent effects in the dissociation of the molecular ions of para and meta subtituted benzoic acids,
Org. Mass Spectrom., 1973, 7, 295. [all data]
Orlov, Boganov, et al., 1985
Orlov, V.M.; Boganov, A.M.; Siretskaya, T.V.; Takhistov, V.V.,
Thermochemical characteristics of the molecular and fragmentation ions of substituted tert-butylacetylenes,
Izv. Akad. Nauk SSSR Ser. Khim., 1985, 12, 2795. [all data]
Takhistov, Khlebnikova, et al., 1980
Takhistov, V.; Khlebnikova, N.; Orlov, V.,
Photoionization study of energetic properties of cations formed with fragmentation of substituted acetylenes containing elements of IV B group,
Org. React. Tartu, 1980, 17, 449. [all data]
Krenmayr, Heller, et al., 1974
Krenmayr, P.; Heller, R.; Varmuza, K.,
Massenspektrometrische untersuchungen an benzophenon und substituierten benzophenonen. I. Ermittlung thermodynamischer grossen,
Org. Mass Spectrom., 1974, 9, 998. [all data]
Notes
Go To: Top, Gas phase ion energetics data, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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