CID 10082478
1-(2-amino-5-bromophenyl)propan-1-one
Structural Information
- Molecular Formula
- C9H10BrNO
- SMILES
- CCC(=O)C1=C(C=CC(=C1)Br)N
- InChI
- InChI=1S/C9H10BrNO/c1-2-9(12)7-5-6(10)3-4-8(7)11/h3-5H,2,11H2,1H3
- InChIKey
- QGGYMYVVGFZOCT-UHFFFAOYSA-N
- Compound name
- 1-(2-amino-5-bromophenyl)propan-1-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 228.00186 | 141.1 |
[M+Na]+ | 249.98380 | 152.4 |
[M-H]- | 225.98730 | 147.2 |
[M+NH4]+ | 245.02840 | 162.5 |
[M+K]+ | 265.95774 | 141.1 |
[M+H-H2O]+ | 209.99184 | 140.8 |
[M+HCOO]- | 271.99278 | 162.7 |
[M+CH3COO]- | 286.00843 | 189.8 |
[M+Na-2H]- | 247.96925 | 146.8 |
[M]+ | 226.99403 | 158.6 |
[M]- | 226.99513 | 158.6 |