CID 72215717
1393552-13-0
Structural Information
- Molecular Formula
- C8H3F3N2O2
- SMILES
- C1=C(C=C(N=C1C#N)C(F)(F)F)C(=O)O
- InChI
- InChI=1S/C8H3F3N2O2/c9-8(10,11)6-2-4(7(14)15)1-5(3-12)13-6/h1-2H,(H,14,15)
- InChIKey
- UGLIPVLYKLHYCT-UHFFFAOYSA-N
- Compound name
- 2-cyano-6-(trifluoromethyl)pyridine-4-carboxylic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 217.02194 | 138.1 |
[M+Na]+ | 239.00388 | 148.8 |
[M-H]- | 215.00738 | 135.6 |
[M+NH4]+ | 234.04848 | 152.8 |
[M+K]+ | 254.97782 | 146.2 |
[M+H-H2O]+ | 199.01192 | 123.4 |
[M+HCOO]- | 261.01286 | 152.0 |
[M+CH3COO]- | 275.02851 | 195.8 |
[M+Na-2H]- | 236.98933 | 142.3 |
[M]+ | 216.01411 | 129.4 |
[M]- | 216.01521 | 129.4 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.