o-Chloroacetanilide
- Formula: C8H8ClNO
- Molecular weight: 169.608
- IUPAC Standard InChI: InChI=1S/C8H8ClNO/c1-6(11)10-8-5-3-2-4-7(8)9/h2-5H,1H3,(H,10,11)
- 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
The 3d structure may be viewed using Java or Javascript. - 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
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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 |
|---|---|---|
| 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 |
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.
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]
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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