CID 124707038
[1-methyl-4-(trifluoromethyl)-1h-pyrazol-5-yl]methanol
Structural Information
- Molecular Formula
- C6H7F3N2O
- SMILES
- CN1C(=C(C=N1)C(F)(F)F)CO
- InChI
- InChI=1S/C6H7F3N2O/c1-11-5(3-12)4(2-10-11)6(7,8)9/h2,12H,3H2,1H3
- InChIKey
- WSQPJUKEQWOPNH-UHFFFAOYSA-N
- Compound name
- [2-methyl-4-(trifluoromethyl)pyrazol-3-yl]methanol
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 181.05832 | 131.8 |
[M+Na]+ | 203.04026 | 142.4 |
[M-H]- | 179.04376 | 128.4 |
[M+NH4]+ | 198.08486 | 150.8 |
[M+K]+ | 219.01420 | 140.1 |
[M+H-H2O]+ | 163.04830 | 123.6 |
[M+HCOO]- | 225.04924 | 149.4 |
[M+CH3COO]- | 239.06489 | 177.4 |
[M+Na-2H]- | 201.02571 | 136.3 |
[M]+ | 180.05049 | 128.5 |
[M]- | 180.05159 | 128.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.