CID 80024
S-methyl benzenecarbothioate
Structural Information
- Molecular Formula
- C8H8OS
- SMILES
- CSC(=O)C1=CC=CC=C1
- InChI
- InChI=1S/C8H8OS/c1-10-8(9)7-5-3-2-4-6-7/h2-6H,1H3
- InChIKey
- RQVWTMCUTHKGCM-UHFFFAOYSA-N
- Compound name
- S-methyl benzenecarbothioate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 153.03687 | 128.4 |
[M+Na]+ | 175.01881 | 136.6 |
[M-H]- | 151.02231 | 132.6 |
[M+NH4]+ | 170.06341 | 150.2 |
[M+K]+ | 190.99275 | 134.5 |
[M+H-H2O]+ | 135.02685 | 123.1 |
[M+HCOO]- | 197.02779 | 147.5 |
[M+CH3COO]- | 211.04344 | 173.5 |
[M+Na-2H]- | 173.00426 | 132.6 |
[M]+ | 152.02904 | 130.2 |
[M]- | 152.03014 | 130.2 |