CID 28604571
3-fluoro-4-(1h-pyrazol-1-yl)benzoic acid
Structural Information
- Molecular Formula
- C10H7FN2O2
- SMILES
- C1=CN(N=C1)C2=C(C=C(C=C2)C(=O)O)F
- InChI
- InChI=1S/C10H7FN2O2/c11-8-6-7(10(14)15)2-3-9(8)13-5-1-4-12-13/h1-6H,(H,14,15)
- InChIKey
- GMPXSUOBBQQHAC-UHFFFAOYSA-N
- Compound name
- 3-fluoro-4-pyrazol-1-ylbenzoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 207.05643 | 143.0 |
[M+Na]+ | 229.03837 | 155.1 |
[M+NH4]+ | 224.08297 | 149.6 |
[M+K]+ | 245.01231 | 151.7 |
[M-H]- | 205.04187 | 143.1 |
[M+Na-2H]- | 227.02382 | 149.6 |
[M]+ | 206.04860 | 144.5 |
[M]- | 206.04970 | 144.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.