CID 54019478
1-(2,2,2-trifluoroethyl)-1h-pyrazole-5-carbaldehyde
Structural Information
- Molecular Formula
- C6H5F3N2O
- SMILES
- C1=C(N(N=C1)CC(F)(F)F)C=O
- InChI
- InChI=1S/C6H5F3N2O/c7-6(8,9)4-11-5(3-12)1-2-10-11/h1-3H,4H2
- InChIKey
- KXYAOSAEBLIOFO-UHFFFAOYSA-N
- Compound name
- 2-(2,2,2-trifluoroethyl)pyrazole-3-carbaldehyde
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 179.04268 | 130.2 |
[M+Na]+ | 201.02462 | 140.6 |
[M-H]- | 177.02812 | 127.7 |
[M+NH4]+ | 196.06922 | 149.6 |
[M+K]+ | 216.99856 | 138.6 |
[M+H-H2O]+ | 161.03266 | 121.4 |
[M+HCOO]- | 223.03360 | 149.5 |
[M+CH3COO]- | 237.04925 | 177.9 |
[M+Na-2H]- | 199.01007 | 135.9 |
[M]+ | 178.03485 | 127.7 |
[M]- | 178.03595 | 127.7 |
Literature stripe
No literature data available for this compound.