CID 12816283
5-(trifluoromethyl)-1,3,4-thiadiazol-2(3h)-one
Structural Information
- Molecular Formula
- C3HF3N2OS
- SMILES
- C1(=NNC(=O)S1)C(F)(F)F
- InChI
- InChI=1S/C3HF3N2OS/c4-3(5,6)1-7-8-2(9)10-1/h(H,8,9)
- InChIKey
- JFZSAWUKZISBJM-UHFFFAOYSA-N
- Compound name
- 5-(trifluoromethyl)-3H-1,3,4-thiadiazol-2-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 170.98345 | 124.2 |
[M+Na]+ | 192.96539 | 135.8 |
[M-H]- | 168.96889 | 121.1 |
[M+NH4]+ | 188.00999 | 143.9 |
[M+K]+ | 208.93933 | 132.7 |
[M+H-H2O]+ | 152.97343 | 116.4 |
[M+HCOO]- | 214.97437 | 137.9 |
[M+CH3COO]- | 228.99002 | 170.2 |
[M+Na-2H]- | 190.95084 | 127.3 |
[M]+ | 169.97562 | 121.2 |
[M]- | 169.97672 | 121.2 |