CID 126973841
2,2,2-trifluoro-1-[1-(propan-2-yl)-1h-pyrazol-5-yl]ethan-1-ol
Structural Information
- Molecular Formula
- C8H11F3N2O
- SMILES
- CC(C)N1C(=CC=N1)C(C(F)(F)F)O
- InChI
- InChI=1S/C8H11F3N2O/c1-5(2)13-6(3-4-12-13)7(14)8(9,10)11/h3-5,7,14H,1-2H3
- InChIKey
- JSZPOTCLFWMSBZ-UHFFFAOYSA-N
- Compound name
- 2,2,2-trifluoro-1-(2-propan-2-ylpyrazol-3-yl)ethanol
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 209.08963 | 141.2 |
[M+Na]+ | 231.07157 | 149.5 |
[M-H]- | 207.07507 | 137.3 |
[M+NH4]+ | 226.11617 | 158.6 |
[M+K]+ | 247.04551 | 147.6 |
[M+H-H2O]+ | 191.07961 | 132.4 |
[M+HCOO]- | 253.08055 | 156.2 |
[M+CH3COO]- | 267.09620 | 183.9 |
[M+Na-2H]- | 229.05702 | 143.0 |
[M]+ | 208.08180 | 137.0 |
[M]- | 208.08290 | 137.0 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.