- Formula: C6H6FN
- Molecular weight: 111.1169
- IUPAC Standard InChI:
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- IUPAC Standard InChIKey: FTZQXOJYPFINKJ-UHFFFAOYSA-N
- CAS Registry Number: 348-54-9
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
- Other names: Aniline, o-fluoro-; o-Fluoroaniline; 2-Fluoroaniline; 2-Fluorobenzenamine; 1-Amino-2-fluorobenzene; Aniline, 2-fluoro-; UN 2941; Benzeneamine, 2-fluoro
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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 as indicated in comments:
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
View reactions leading to C6H6FN+ (ion structure unspecified)
Ionization energy determinations
|8.50||EI||Baldwin, Loudon, et al., 1976||LLK|
|8.18||PE||Furin, Sultanov, et al., 1987||Vertical value; LBLHLM|
|8.18||PE||Palmer, Moyes, et al., 1979||Vertical value; LLK|
Go To: Top, Gas phase ion energetics data, Notes
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]
Furin, Sultanov, et al., 1987
Furin, G.G.; Sultanov, A.S.; Furlei, I.I., Photoelectronic spectra of fluorine-containing aromatic amines, Dokl. Phys. Chem., 1987, 530. [all data]
Palmer, Moyes, et al., 1979
Palmer, M.H.; Moyes, W.; Spiers, M.; Ridyard, J.N.A., The electronic structure of substituted benzenes; a study of aniline, the toluidines, phenylenediamines and fluoroanilines by photoelectron spectroscopy and ab initio calculations, J. Mol. Struct., 1979, 53, 235. [all data]
Go To: Top, Gas phase ion energetics data, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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