CID 13303408
1h-pyrazole-3-carboxylic acid, 4-amino-5-(4-fluorophenyl)-
Structural Information
- Molecular Formula
- C10H8FN3O2
- SMILES
- C1=CC(=CC=C1C2=NNC(=C2N)C(=O)O)F
- InChI
- InChI=1S/C10H8FN3O2/c11-6-3-1-5(2-4-6)8-7(12)9(10(15)16)14-13-8/h1-4H,12H2,(H,13,14)(H,15,16)
- InChIKey
- SSVUWJFOAOMIKB-UHFFFAOYSA-N
- Compound name
- 4-amino-3-(4-fluorophenyl)-1H-pyrazole-5-carboxylic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 222.06734 | 144.7 |
[M+Na]+ | 244.04928 | 153.9 |
[M-H]- | 220.05278 | 145.5 |
[M+NH4]+ | 239.09388 | 160.4 |
[M+K]+ | 260.02322 | 149.2 |
[M+H-H2O]+ | 204.05732 | 136.4 |
[M+HCOO]- | 266.05826 | 164.6 |
[M+CH3COO]- | 280.07391 | 185.0 |
[M+Na-2H]- | 242.03473 | 147.0 |
[M]+ | 221.05951 | 140.5 |
[M]- | 221.06061 | 140.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.