CID 18630714
En300-722789
Structural Information
- Molecular Formula
- C9H10O4S
- SMILES
- COC(=O)C1=CC=C(C=C1)CS(=O)O
- InChI
- InChI=1S/C9H10O4S/c1-13-9(10)8-4-2-7(3-5-8)6-14(11)12/h2-5H,6H2,1H3,(H,11,12)
- InChIKey
- OAASPMZOWHLFSG-UHFFFAOYSA-N
- Compound name
- (4-methoxycarbonylphenyl)methanesulfinic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 215.03726 | 142.6 |
[M+Na]+ | 237.01920 | 150.2 |
[M-H]- | 213.02270 | 145.3 |
[M+NH4]+ | 232.06380 | 160.9 |
[M+K]+ | 252.99314 | 148.1 |
[M+H-H2O]+ | 197.02724 | 136.8 |
[M+HCOO]- | 259.02818 | 159.5 |
[M+CH3COO]- | 273.04383 | 181.2 |
[M+Na-2H]- | 235.00465 | 144.2 |
[M]+ | 214.02943 | 146.2 |
[M]- | 214.03053 | 146.2 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.