CID 2773889
4-bromophenyl methanesulfonate
Structural Information
- Molecular Formula
- C7H7BrO3S
- SMILES
- CS(=O)(=O)OC1=CC=C(C=C1)Br
- InChI
- InChI=1S/C7H7BrO3S/c1-12(9,10)11-7-4-2-6(8)3-5-7/h2-5H,1H3
- InChIKey
- PJWZKEHXEQWESI-UHFFFAOYSA-N
- Compound name
- (4-bromophenyl) methanesulfonate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 250.93721 | 133.5 |
[M+Na]+ | 272.91915 | 146.9 |
[M-H]- | 248.92265 | 140.7 |
[M+NH4]+ | 267.96375 | 155.2 |
[M+K]+ | 288.89309 | 135.9 |
[M+H-H2O]+ | 232.92719 | 134.4 |
[M+HCOO]- | 294.92813 | 150.9 |
[M+CH3COO]- | 308.94378 | 185.4 |
[M+Na-2H]- | 270.90460 | 141.3 |
[M]+ | 249.92938 | 156.0 |
[M]- | 249.93048 | 156.0 |