Methanone, phenyl-2-pyridinyl-
- Formula: C12H9NO
- Molecular weight: 183.2060
- IUPAC Standard InChI: InChI=1S/C12H9NO/c14-12(10-6-2-1-3-7-10)11-8-4-5-9-13-11/h1-9H
- IUPAC Standard InChIKey: GCSHUYKULREZSJ-UHFFFAOYSA-N
- CAS Registry Number: 91-02-1
- 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: Ketone, phenyl 2-pyridyl; Phenyl 2-pyridyl ketone; 2-Benzoylpyridine; Pyridine, 2-benzoyl-
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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
Ionization energy determinations
| IE (eV) | Method | Reference |
|---|---|---|
| 9.06 | EI | Schubert and Grutzmacher, 1980 |
| 9.06 | EI | Grutzmacher, Schaldach, et al., 1980 |
| 9.1 ± 0.1 | EI | Grutzmacher and Schubert, 1979 |
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| C7H5O+ | 11.7 ± 0.1 | C5H4N | EI | Grutzmacher and Schubert, 1979 | |
| C12H8NO+ | 9.97 | H | EI | Schubert and Grutzmacher, 1980 | |
| C12H8NO+ | 10.0 | H | EI | Grutzmacher, Schaldach, et al., 1980 |
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.
Schubert and Grutzmacher, 1980
Schubert, R.; Grutzmacher, H.-F.,
Kinetic energy release and position of transition state during the intramolecular substitution of ionized 2-benzoyl pyridines,
Org. Mass Spectrom., 1980, 15, 122. [all data]
Grutzmacher, Schaldach, et al., 1980
Grutzmacher, H.-F.; Schaldach, B.; Schubert, R.; Ramana, D.V.,
Ion kinetic energy release as a transition state probe in intramolecular aromatic substitutions,
Adv. Mass Spectrom., 1980, 8, 795. [all data]
Grutzmacher and Schubert, 1979
Grutzmacher, H.-F.; Schubert, R.,
Substituent effects in the mass spectra of benzoyl hetarenes,
Org. Mass Spectrom., 1979, 14, 567. [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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