CID 4366863
Ethyl 5-amino-1-(2-fluorophenyl)-1h-pyrazole-4-carboxylate
Structural Information
- Molecular Formula
- C12H12FN3O2
- SMILES
- CCOC(=O)C1=C(N(N=C1)C2=CC=CC=C2F)N
- InChI
- InChI=1S/C12H12FN3O2/c1-2-18-12(17)8-7-15-16(11(8)14)10-6-4-3-5-9(10)13/h3-7H,2,14H2,1H3
- InChIKey
- NYHXOVWRDYMNGL-UHFFFAOYSA-N
- Compound name
- ethyl 5-amino-1-(2-fluorophenyl)pyrazole-4-carboxylate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 250.09863 | 153.3 |
[M+Na]+ | 272.08057 | 162.6 |
[M-H]- | 248.08407 | 156.5 |
[M+NH4]+ | 267.12517 | 169.3 |
[M+K]+ | 288.05451 | 159.1 |
[M+H-H2O]+ | 232.08861 | 144.1 |
[M+HCOO]- | 294.08955 | 175.5 |
[M+CH3COO]- | 308.10520 | 195.1 |
[M+Na-2H]- | 270.06602 | 155.4 |
[M]+ | 249.09080 | 153.3 |
[M]- | 249.09190 | 153.3 |
Literature stripe
No literature data available for this compound.