CID 13015
3-chlorobenzonitrile
Structural Information
- Molecular Formula
- C7H4ClN
- SMILES
- C1=CC(=CC(=C1)Cl)C#N
- InChI
- InChI=1S/C7H4ClN/c8-7-3-1-2-6(4-7)5-9/h1-4H
- InChIKey
- WBUOVKBZJOIOAE-UHFFFAOYSA-N
- Compound name
- 3-chlorobenzonitrile
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 138.01050 | 124.8 |
[M+Na]+ | 159.99244 | 137.1 |
[M-H]- | 135.99594 | 128.5 |
[M+NH4]+ | 155.03704 | 145.5 |
[M+K]+ | 175.96638 | 132.4 |
[M+H-H2O]+ | 120.00048 | 114.3 |
[M+HCOO]- | 182.00142 | 142.3 |
[M+CH3COO]- | 196.01707 | 184.8 |
[M+Na-2H]- | 157.97789 | 132.5 |
[M]+ | 137.00267 | 121.2 |
[M]- | 137.00377 | 121.2 |