CID 16463261
5-bromo-2-(methylamino)benzoic acid
Structural Information
- Molecular Formula
- C8H8BrNO2
- SMILES
- CNC1=C(C=C(C=C1)Br)C(=O)O
- InChI
- InChI=1S/C8H8BrNO2/c1-10-7-3-2-5(9)4-6(7)8(11)12/h2-4,10H,1H3,(H,11,12)
- InChIKey
- SIAWPBGFCFNHCS-UHFFFAOYSA-N
- Compound name
- 5-bromo-2-(methylamino)benzoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 229.98113 | 139.5 |
[M+Na]+ | 251.96307 | 142.0 |
[M+NH4]+ | 247.00767 | 143.7 |
[M+K]+ | 267.93701 | 142.9 |
[M-H]- | 227.96657 | 139.7 |
[M+Na-2H]- | 249.94852 | 142.5 |
[M]+ | 228.97330 | 138.6 |
[M]- | 228.97440 | 138.6 |
Literature stripe
No literature data available for this compound.