CID 65544942
5-amino-3-bromo-2-methylbenzoic acid
Structural Information
- Molecular Formula
- C8H8BrNO2
- SMILES
- CC1=C(C=C(C=C1Br)N)C(=O)O
- InChI
- InChI=1S/C8H8BrNO2/c1-4-6(8(11)12)2-5(10)3-7(4)9/h2-3H,10H2,1H3,(H,11,12)
- InChIKey
- SLSYOGCDCXSKSG-UHFFFAOYSA-N
- Compound name
- 5-amino-3-bromo-2-methylbenzoic 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 | 143.6 |
[M+K]+ | 267.93701 | 143.3 |
[M-H]- | 227.96657 | 139.6 |
[M+Na-2H]- | 249.94852 | 141.9 |
[M]+ | 228.97330 | 138.5 |
[M]- | 228.97440 | 138.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.