CID 84234
Methyl phenyl disulfide
Structural Information
- Molecular Formula
- C7H8S2
- SMILES
- CSSC1=CC=CC=C1
- InChI
- InChI=1S/C7H8S2/c1-8-9-7-5-3-2-4-6-7/h2-6H,1H3
- InChIKey
- LMSQHVXHZCNJEP-UHFFFAOYSA-N
- Compound name
- (methyldisulfanyl)benzene
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 157.01402 | 125.7 |
[M+Na]+ | 178.99596 | 134.5 |
[M-H]- | 154.99946 | 129.6 |
[M+NH4]+ | 174.04056 | 147.6 |
[M+K]+ | 194.96990 | 130.8 |
[M+H-H2O]+ | 139.00400 | 120.5 |
[M+HCOO]- | 201.00494 | 139.9 |
[M+CH3COO]- | 215.02059 | 174.5 |
[M+Na-2H]- | 176.98141 | 129.0 |
[M]+ | 156.00619 | 127.8 |
[M]- | 156.00729 | 127.8 |