CID 67289880
1-(3-chloropyridin-2-yl)-3-{[5-(trifluoromethyl)-2h-tetrazol-2-yl]methyl}-1h-pyrazole-5-carboxylic acid
Structural Information
- Molecular Formula
- C12H7ClF3N7O2
- SMILES
- C1=CC(=C(N=C1)N2C(=CC(=N2)CN3N=C(N=N3)C(F)(F)F)C(=O)O)Cl
- InChI
- InChI=1S/C12H7ClF3N7O2/c13-7-2-1-3-17-9(7)23-8(10(24)25)4-6(19-23)5-22-20-11(18-21-22)12(14,15)16/h1-4H,5H2,(H,24,25)
- InChIKey
- VRJIBCBHABNTRG-UHFFFAOYSA-N
- Compound name
- 2-(3-chloropyridin-2-yl)-5-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazole-3-carboxylic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 374.03746 | 173.9 |
[M+Na]+ | 396.01940 | 186.9 |
[M-H]- | 372.02290 | 172.3 |
[M+NH4]+ | 391.06400 | 180.3 |
[M+K]+ | 411.99334 | 179.9 |
[M+H-H2O]+ | 356.02744 | 160.5 |
[M+HCOO]- | 418.02838 | 182.1 |
[M+CH3COO]- | 432.04403 | 182.9 |
[M+Na-2H]- | 394.00485 | 174.7 |
[M]+ | 373.02963 | 175.5 |
[M]- | 373.03073 | 175.5 |
Literature stripe
No literature data available for this compound.