CID 57624630
Methyl 2-(4-bromo-2-chlorophenyl)acetate
Structural Information
- Molecular Formula
- C9H8BrClO2
- SMILES
- COC(=O)CC1=C(C=C(C=C1)Br)Cl
- InChI
- InChI=1S/C9H8BrClO2/c1-13-9(12)4-6-2-3-7(10)5-8(6)11/h2-3,5H,4H2,1H3
- InChIKey
- GYQSFCYMWAJKMD-UHFFFAOYSA-N
- Compound name
- methyl 2-(4-bromo-2-chlorophenyl)acetate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 262.94688 | 143.8 |
[M+Na]+ | 284.92882 | 148.5 |
[M+NH4]+ | 279.97342 | 148.9 |
[M+K]+ | 300.90276 | 147.8 |
[M-H]- | 260.93232 | 144.3 |
[M+Na-2H]- | 282.91427 | 147.5 |
[M]+ | 261.93905 | 143.7 |
[M]- | 261.94015 | 143.7 |
Literature stripe
No literature data available for this compound.