CID 96410033
2103589-03-1
Structural Information
- Molecular Formula
- C8H9F3N2O2
- SMILES
- CC(C)C1=C(NN=C1C(=O)O)C(F)(F)F
- InChI
- InChI=1S/C8H9F3N2O2/c1-3(2)4-5(7(14)15)12-13-6(4)8(9,10)11/h3H,1-2H3,(H,12,13)(H,14,15)
- InChIKey
- XQJHDRUDXQKIAW-UHFFFAOYSA-N
- Compound name
- 4-propan-2-yl-5-(trifluoromethyl)-1H-pyrazole-3-carboxylic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 223.06889 | 143.0 |
[M+Na]+ | 245.05083 | 152.0 |
[M-H]- | 221.05433 | 138.2 |
[M+NH4]+ | 240.09543 | 159.3 |
[M+K]+ | 261.02477 | 149.2 |
[M+H-H2O]+ | 205.05887 | 134.8 |
[M+HCOO]- | 267.05981 | 156.9 |
[M+CH3COO]- | 281.07546 | 183.7 |
[M+Na-2H]- | 243.03628 | 143.8 |
[M]+ | 222.06106 | 138.0 |
[M]- | 222.06216 | 138.0 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.