CID 80612
5-bromovanillic acid
Structural Information
- Molecular Formula
- C8H7BrO4
- SMILES
- COC1=C(C(=CC(=C1)C(=O)O)Br)O
- InChI
- InChI=1S/C8H7BrO4/c1-13-6-3-4(8(11)12)2-5(9)7(6)10/h2-3,10H,1H3,(H,11,12)
- InChIKey
- FGOVBTMEPVEFCJ-UHFFFAOYSA-N
- Compound name
- 3-bromo-4-hydroxy-5-methoxybenzoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 246.96005 | 140.2 |
[M+Na]+ | 268.94199 | 152.3 |
[M-H]- | 244.94549 | 144.6 |
[M+NH4]+ | 263.98659 | 160.1 |
[M+K]+ | 284.91593 | 141.7 |
[M+H-H2O]+ | 228.95003 | 140.5 |
[M+HCOO]- | 290.95097 | 159.5 |
[M+CH3COO]- | 304.96662 | 185.3 |
[M+Na-2H]- | 266.92744 | 145.6 |
[M]+ | 245.95222 | 159.8 |
[M]- | 245.95332 | 159.8 |
Literature stripe
No literature data available for this compound.