CID 136896
4-(methylthio)benzenethiol
Structural Information
- Molecular Formula
- C7H8S2
- SMILES
- CSC1=CC=C(C=C1)S
- InChI
- InChI=1S/C7H8S2/c1-9-7-4-2-6(8)3-5-7/h2-5,8H,1H3
- InChIKey
- KYMOWQQIZINTJZ-UHFFFAOYSA-N
- Compound name
- 4-methylsulfanylbenzenethiol
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 157.01402 | 125.0 |
[M+Na]+ | 178.99596 | 134.6 |
[M-H]- | 154.99946 | 129.3 |
[M+NH4]+ | 174.04056 | 147.2 |
[M+K]+ | 194.96990 | 130.8 |
[M+H-H2O]+ | 139.00400 | 120.0 |
[M+HCOO]- | 201.00494 | 139.1 |
[M+CH3COO]- | 215.02059 | 175.5 |
[M+Na-2H]- | 176.98141 | 127.7 |
[M]+ | 156.00619 | 127.5 |
[M]- | 156.00729 | 127.5 |