3-chloro-7H-benzo[de]anthracen-7-one
- Formula: C17H9ClO
- Molecular weight: 264.706
- IUPAC Standard InChI: InChI=1S/C17H9ClO/c18-15-9-8-11-10-4-1-2-5-12(10)17(19)14-7-3-6-13(15)16(11)14/h1-9H
- IUPAC Standard InChIKey: QLCFFBOGHZDLGO-UHFFFAOYSA-N
- CAS Registry Number: 6409-44-5
- 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: 7H-Benz[de]anthracen-7-one, 3-chloro-
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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 and Joel F. Liebman
Ionization energy determinations
| IE (eV) | Method | Reference |
|---|---|---|
| 9.5 | EI | Abliz, Ueda, et al., 1990 |
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| C16H9+ | 18.0 | CO+Cl | EI | Abliz, Ueda, et al., 1990 | |
| C16H9Cl+ | 14.5 | CO | EI | Abliz, Ueda, et al., 1990 | |
| C17H8+ | 21.0 | CO+HCl | EI | Abliz, Ueda, et al., 1990 | |
| C17H9O+ | 17.5 | Cl | EI | Abliz, Ueda, et al., 1990 |
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.
Abliz, Ueda, et al., 1990
Abliz, Z.; Ueda, T.; Kubogata, K.; Iwashima, S.; Takekawa, M.; Aoki, J.; Kan, T.,
Mechanism of ionization and initial fragmentation in electron impact mass spectra of 3-halogenobenzanthrones,
Org. Mass Spectrom., 1990, 25, 345. [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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