CID 11875
2-nitrobenzoyl chloride
Structural Information
- Molecular Formula
- C7H4ClNO3
- SMILES
- C1=CC=C(C(=C1)C(=O)Cl)[N+](=O)[O-]
- InChI
- InChI=1S/C7H4ClNO3/c8-7(10)5-3-1-2-4-6(5)9(11)12/h1-4H
- InChIKey
- BWWHTIHDQBHTHP-UHFFFAOYSA-N
- Compound name
- 2-nitrobenzoyl chloride
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 185.99526 | 132.5 |
[M+Na]+ | 207.97720 | 141.0 |
[M-H]- | 183.98070 | 136.4 |
[M+NH4]+ | 203.02180 | 152.2 |
[M+K]+ | 223.95114 | 134.5 |
[M+H-H2O]+ | 167.98524 | 132.8 |
[M+HCOO]- | 229.98618 | 153.8 |
[M+CH3COO]- | 244.00183 | 173.3 |
[M+Na-2H]- | 205.96265 | 140.0 |
[M]+ | 184.98743 | 133.2 |
[M]- | 184.98853 | 133.2 |