CID 20373750
Thietan-3-one 1,1-dioxide
Structural Information
- Molecular Formula
- C3H4O3S
- SMILES
- C1C(=O)CS1(=O)=O
- InChI
- InChI=1S/C3H4O3S/c4-3-1-7(5,6)2-3/h1-2H2
- InChIKey
- AYVTTWZAVAGWEX-UHFFFAOYSA-N
- Compound name
- 1,1-dioxothietan-3-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 120.99539 | 110.9 |
[M+Na]+ | 142.97733 | 119.0 |
[M-H]- | 118.98083 | 115.3 |
[M+NH4]+ | 138.02193 | 129.0 |
[M+K]+ | 158.95127 | 121.3 |
[M+H-H2O]+ | 102.98537 | 102.3 |
[M+HCOO]- | 164.98631 | 129.5 |
[M+CH3COO]- | 179.00196 | 168.0 |
[M+Na-2H]- | 140.96278 | 116.6 |
[M]+ | 119.98756 | 121.6 |
[M]- | 119.98866 | 121.6 |