4-(2-Trifluoromethylphenyl)but-3-en-2-one

• Formula: C₁₁H₉F₃O
• Molecular weight: 214.1838
• IUPAC Standard InChI: InChI=1S/C11H9F3O/c1-8(15)6-7-9-4-2-3-5-10(9)11(12,13)14/h2-7H,1H3/b7-6+ Copy

  
• IUPAC Standard InChIKey: DNMFDFHJWALWGN-VOTSOKGWSA-N Copy
• CAS Registry Number: 76293-37-3
• Chemical structure:
  This structure is also available as a 2d Mol file
• Other names: 3-Buten-2-one, 4-[2-(trifluoromethyl)phenyl]-; o-Trifluoromethylbenzalacetone; 2-Trifluoromethyl-benzalacetone
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• Information on this page:
  • Gas phase ion energetics data
  • Mass spectrum (electron ionization)
  • References
  • Notes
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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

Ionization energy determinations

Appearance energy determinations

Mass spectrum (electron ionization)

Go To: Top, Gas phase ion energetics data, References, Notes

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

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

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Additional Data

References

Go To: Top, Gas phase ion energetics data, Mass spectrum (electron ionization), Notes

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

Schaldach, Grotemeyer, et al., 1981
Schaldach, B.; Grotemeyer, B.; Grotemeyer, J.; Grutzmacher, H.-F., Kinetic and thermodynamic effects on intramolecular aromatic substitution in meta and para substituted benzalacetones, Org. Mass Spectrom., 1981, 16, 410. [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]

Schaldach and Grutzmacher, 1979
Schaldach, B.; Grutzmacher, H.F., Kinetics energy release and position of the transition state during the intramolecular substitution of ionized benzalacetones, Int. J. Mass Spectrom. Ion Phys., 1979, 31, 271. [all data]

Notes

Go To: Top, Gas phase ion energetics data, Mass spectrum (electron ionization), References

• Symbols used in this document:
  

  AE	Appearance energy

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