CID 140311804
2072482-88-1
Structural Information
- Molecular Formula
- C12H12F3N3O2S
- SMILES
- CC(C)SCC1=NN=C2N1C(=CC=C2C(=O)O)C(F)(F)F
- InChI
- InChI=1S/C12H12F3N3O2S/c1-6(2)21-5-9-16-17-10-7(11(19)20)3-4-8(18(9)10)12(13,14)15/h3-4,6H,5H2,1-2H3,(H,19,20)
- InChIKey
- JTQBHHHPMQFROS-UHFFFAOYSA-N
- Compound name
- 3-(propan-2-ylsulfanylmethyl)-5-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 320.06752 | 166.5 |
[M+Na]+ | 342.04946 | 177.6 |
[M-H]- | 318.05296 | 163.2 |
[M+NH4]+ | 337.09406 | 180.3 |
[M+K]+ | 358.02340 | 172.8 |
[M+H-H2O]+ | 302.05750 | 157.6 |
[M+HCOO]- | 364.05844 | 175.6 |
[M+CH3COO]- | 378.07409 | 203.0 |
[M+Na-2H]- | 340.03491 | 166.3 |
[M]+ | 319.05969 | 168.9 |
[M]- | 319.06079 | 168.9 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.