CID 104068
4-(2-bromoethyl)benzoic acid
Structural Information
- Molecular Formula
- C9H9BrO2
- SMILES
- C1=CC(=CC=C1CCBr)C(=O)O
- InChI
- InChI=1S/C9H9BrO2/c10-6-5-7-1-3-8(4-2-7)9(11)12/h1-4H,5-6H2,(H,11,12)
- InChIKey
- BKMRWJWLBHHGCF-UHFFFAOYSA-N
- Compound name
- 4-(2-bromoethyl)benzoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 228.98587 | 139.5 |
[M+Na]+ | 250.96781 | 142.6 |
[M+NH4]+ | 246.01241 | 144.1 |
[M+K]+ | 266.94175 | 142.8 |
[M-H]- | 226.97131 | 139.5 |
[M+Na-2H]- | 248.95326 | 142.8 |
[M]+ | 227.97804 | 138.7 |
[M]- | 227.97914 | 138.7 |