Benzonitrile, 4-fluoro-

• Formula: C₇H₄FN
• Molecular weight: 121.1118
• IUPAC Standard InChI: InChI=1S/C7H4FN/c8-7-3-1-6(5-9)2-4-7/h1-4H Copy

  
• IUPAC Standard InChIKey: AEKVBBNGWBBYLL-UHFFFAOYSA-N Copy
• CAS Registry Number: 1194-02-1
• Chemical structure:
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• Other names: Benzonitrile, p-fluoro-; p-Cyanofluorobenzene; p-Fluorobenzonitrile; 4-Fluorobenzonitrile
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• Information on this page:
  • Gas phase ion energetics data
  • References
  • Notes
• Other data available:
  • Phase change data
  • IR Spectrum
  • Mass spectrum (electron ionization)
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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:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

Ionization energy determinations

References

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Buchs, 1970
Buchs, A., Etude par spectrometrie de masse de l'ionisation de benzonitriles, de phenylacetonitriles et de N,N-dimethylanilines substitues, Helv. Chim. Acta, 1970, 53, 2026. [all data]

Palmer, Moyes, et al., 1980
Palmer, M.H.; Moyes, W.; Spiers, M., The electronic structure of substituted benzenes: Ab initio calculations and photoelectron spectra for benzonitrile, the tolunitriles, fluorobenzonitriles, dicyanobenzenes and ethynylbenzene, J. Mol. Struct., 1980, 62, 165. [all data]

Notes

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• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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