- Formula: C8H8ClNO
- Molecular weight: 169.608
- IUPAC Standard InChI:
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- IUPAC Standard InChIKey: KNVQTRVKSOEHPU-UHFFFAOYSA-N
- CAS Registry Number: 533-17-5
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
- Other names: 2'-Chloro acetanilide; Acetamide, N-(2-chlorophenyl)-; Acetanilide, 2'-chloro-; N-(2-Chlorophenyl)acetamide; 2-Chloroacetanilide
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Gas phase ion energetics data
Go To: Top, References, Notes
Data compiled by: Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
Ionization energy determinations
|8.55||EI||Baldwin, Loudon, et al., 1976|
|8.07 ± 0.03||EI||Benezra and Bursey, 1971|
Appearance energy determinations
|Ion||AE (eV)||Other Products||Method||Reference||Comment|
|C2H3O+||13.91 ± 0.03||?||EI||Benezra and Bursey, 1971|
|C5H9N+||13.91 ± 0.03||?||EI||Benezra and Bursey, 1971|
|C6H6NCl+||11.05||?||EI||Baldwin, Loudon, et al., 1976|
|C6H6NCl+||10.76 ± 0.03||CH2=C=O||EI||Benezra and Bursey, 1971|
|C8H8NO+||9.40||Cl||EI||Baldwin, Loudon, et al., 1976|
|C8H8NO+||8.86 ± 0.03||Cl||EI||Benezra and Bursey, 1971|
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]
Benezra and Bursey, 1971
Benezra, S.A.; Bursey, M.M., ortho-Effects on ordering factors in mass spectral rearrangements. Loss of keten from halogenated phenyl acetates and acetanilides, J. Chem. Soc. B, 1971, 1515. [all data]
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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