CID 11344231
1-[(bromomethyl)sulfanyl]ethan-1-one
Structural Information
- Molecular Formula
- C3H5BrOS
- SMILES
- CC(=O)SCBr
- InChI
- InChI=1S/C3H5BrOS/c1-3(5)6-2-4/h2H2,1H3
- InChIKey
- RLEILGCPRGJZND-UHFFFAOYSA-N
- Compound name
- S-(bromomethyl) ethanethioate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 168.93173 | 117.2 |
[M+Na]+ | 190.91367 | 129.7 |
[M-H]- | 166.91717 | 121.2 |
[M+NH4]+ | 185.95827 | 142.0 |
[M+K]+ | 206.88761 | 119.6 |
[M+H-H2O]+ | 150.92171 | 118.6 |
[M+HCOO]- | 212.92265 | 133.9 |
[M+CH3COO]- | 226.93830 | 174.5 |
[M+Na-2H]- | 188.89912 | 123.1 |
[M]+ | 167.92390 | 137.8 |
[M]- | 167.92500 | 137.8 |
Literature stripe
No literature data available for this compound.