CID 62576
Benzyl 2-bromoacetate
Structural Information
- Molecular Formula
- C9H9BrO2
- SMILES
- C1=CC=C(C=C1)COC(=O)CBr
- InChI
- InChI=1S/C9H9BrO2/c10-6-9(11)12-7-8-4-2-1-3-5-8/h1-5H,6-7H2
- InChIKey
- JHVLLYQQQYIWKX-UHFFFAOYSA-N
- Compound name
- benzyl 2-bromoacetate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 228.98587 | 139.1 |
[M+Na]+ | 250.96781 | 142.4 |
[M+NH4]+ | 246.01241 | 144.0 |
[M+K]+ | 266.94175 | 142.2 |
[M-H]- | 226.97131 | 139.5 |
[M+Na-2H]- | 248.95326 | 143.2 |
[M]+ | 227.97804 | 138.5 |
[M]- | 227.97914 | 138.5 |