CID 5105980
5737-83-7
Structural Information
- Molecular Formula
- C13H9BrO2
- SMILES
- C1=CC(=CC(=C1)Br)C2=CC=C(C=C2)C(=O)O
- InChI
- InChI=1S/C13H9BrO2/c14-12-3-1-2-11(8-12)9-4-6-10(7-5-9)13(15)16/h1-8H,(H,15,16)
- InChIKey
- YZCQIXZSVVFEJE-UHFFFAOYSA-N
- Compound name
- 4-(3-bromophenyl)benzoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 276.98586 | 149.3 |
[M+Na]+ | 298.96780 | 154.6 |
[M+NH4]+ | 294.01240 | 154.4 |
[M+K]+ | 314.94174 | 153.8 |
[M-H]- | 274.97130 | 151.7 |
[M+Na-2H]- | 296.95325 | 155.3 |
[M]+ | 275.97803 | 149.7 |
[M]- | 275.97913 | 149.7 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.