2,4,6-Cycloheptatriene-1-carbonitrile
- Formula: C8H7N
- Molecular weight: 117.1479
- IUPAC Standard InChI: InChI=1S/C8H7N/c9-7-8-5-3-1-2-4-6-8/h1-6,8H
- IUPAC Standard InChIKey: LADCKIXFXIKHQM-UHFFFAOYSA-N
- CAS Registry Number: 13612-59-4
- 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: 1,3,5-Cycloheptatriene-7-carbonitrile; 2,4,6-Cycloheptatrienecarbonitrile; 7-Cyano-1,3,5-cycloheptatriene; 7-Cyanocycloheptatriene; 1-Cyano-2,4,6-cycloheptatriene; 7-cyanotropilidene
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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.
Data compiled by: Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
View reactions leading to C8H7N+ (ion structure unspecified)
Ionization energy determinations
| IE (eV) | Method | Reference |
|---|---|---|
| 8.89 | EI | Van Der Greef, Molenaar-Langeveld, et al., 1979 |
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| C7H6+ | 11.19 | HCN | EI | Van Der Greef, Molenaar-Langeveld, et al., 1979 |
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.
Van Der Greef, Molenaar-Langeveld, et al., 1979
Van Der Greef, J.; Molenaar-Langeveld, T.A.; Nibbering, N.M.M.,
The elimination of HCN (or HNC) from the molecular ions of some isomeric C8H7N compounds, studied by field ionization kinetic and kinetic energy release measurements,
Int. J. Mass Spectrom. Ion Phys., 1979, 29, 11. [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
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