CID 60890294
2-(2-methylbenzenesulfonyl)acetic acid
Structural Information
- Molecular Formula
- C9H10O4S
- SMILES
- CC1=CC=CC=C1S(=O)(=O)CC(=O)O
- InChI
- InChI=1S/C9H10O4S/c1-7-4-2-3-5-8(7)14(12,13)6-9(10)11/h2-5H,6H2,1H3,(H,10,11)
- InChIKey
- NCZQAXMIGPHWON-UHFFFAOYSA-N
- Compound name
- 2-(2-methylphenyl)sulfonylacetic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 215.03726 | 142.1 |
[M+Na]+ | 237.01920 | 150.5 |
[M-H]- | 213.02270 | 144.9 |
[M+NH4]+ | 232.06380 | 160.5 |
[M+K]+ | 252.99314 | 147.8 |
[M+H-H2O]+ | 197.02724 | 136.9 |
[M+HCOO]- | 259.02818 | 158.7 |
[M+CH3COO]- | 273.04383 | 180.5 |
[M+Na-2H]- | 235.00465 | 145.6 |
[M]+ | 214.02943 | 145.1 |
[M]- | 214.03053 | 145.1 |
Literature stripe
No literature data available for this compound.