CID 2901982
Methyl 4-((phenylsulfonyl)oxy)benzoate
Structural Information
- Molecular Formula
- C14H12O5S
- SMILES
- COC(=O)C1=CC=C(C=C1)OS(=O)(=O)C2=CC=CC=C2
- InChI
- InChI=1S/C14H12O5S/c1-18-14(15)11-7-9-12(10-8-11)19-20(16,17)13-5-3-2-4-6-13/h2-10H,1H3
- InChIKey
- JLAFNTFSKHGIAG-UHFFFAOYSA-N
- Compound name
- methyl 4-(benzenesulfonyloxy)benzoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 293.04784 | 162.7 |
[M+Na]+ | 315.02978 | 170.7 |
[M-H]- | 291.03328 | 169.9 |
[M+NH4]+ | 310.07438 | 178.2 |
[M+K]+ | 331.00372 | 168.0 |
[M+H-H2O]+ | 275.03782 | 155.4 |
[M+HCOO]- | 337.03876 | 181.0 |
[M+CH3COO]- | 351.05441 | 195.4 |
[M+Na-2H]- | 313.01523 | 167.1 |
[M]+ | 292.04001 | 168.2 |
[M]- | 292.04111 | 168.2 |