CID 89807
3-bromobenzamide
Structural Information
- Molecular Formula
- C7H6BrNO
- SMILES
- C1=CC(=CC(=C1)Br)C(=O)N
- InChI
- InChI=1S/C7H6BrNO/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H2,9,10)
- InChIKey
- ODJFDWIECLJWSR-UHFFFAOYSA-N
- Compound name
- 3-bromobenzamide
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 199.97057 | 132.4 |
[M+Na]+ | 221.95251 | 143.7 |
[M-H]- | 197.95601 | 138.5 |
[M+NH4]+ | 216.99711 | 154.6 |
[M+K]+ | 237.92645 | 132.8 |
[M+H-H2O]+ | 181.96055 | 132.3 |
[M+HCOO]- | 243.96149 | 154.7 |
[M+CH3COO]- | 257.97714 | 183.0 |
[M+Na-2H]- | 219.93796 | 139.8 |
[M]+ | 198.96274 | 148.8 |
[M]- | 198.96384 | 148.8 |