CID 11367149
5-fluoro-1,3-dimethyl-1h-pyrazole-4-carboxylic acid
Structural Information
- Molecular Formula
- C6H7FN2O2
- SMILES
- CC1=NN(C(=C1C(=O)O)F)C
- InChI
- InChI=1S/C6H7FN2O2/c1-3-4(6(10)11)5(7)9(2)8-3/h1-2H3,(H,10,11)
- InChIKey
- HTMQNNFTTWLPIE-UHFFFAOYSA-N
- Compound name
- 5-fluoro-1,3-dimethylpyrazole-4-carboxylic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 159.05643 | 127.7 |
[M+Na]+ | 181.03837 | 138.6 |
[M-H]- | 157.04187 | 127.1 |
[M+NH4]+ | 176.08297 | 147.7 |
[M+K]+ | 197.01231 | 137.1 |
[M+H-H2O]+ | 141.04641 | 121.0 |
[M+HCOO]- | 203.04735 | 148.4 |
[M+CH3COO]- | 217.06300 | 175.3 |
[M+Na-2H]- | 179.02382 | 130.7 |
[M]+ | 158.04860 | 127.9 |
[M]- | 158.04970 | 127.9 |
Literature stripe
No literature data available for this compound.