CID 66509570

1-(4-amino-2-fluorophenyl)-1h-pyrazole-3-carboxylic acid

Structural Information

Molecular Formula
C10H8FN3O2
SMILES
C1=CC(=C(C=C1N)F)N2C=CC(=N2)C(=O)O
InChI
InChI=1S/C10H8FN3O2/c11-7-5-6(12)1-2-9(7)14-4-3-8(13-14)10(15)16/h1-5H,12H2,(H,15,16)
InChIKey
FIWHRRFQJRQFLW-UHFFFAOYSA-N
Compound name
1-(4-amino-2-fluorophenyl)pyrazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.06006 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.06734 144.3
[M+Na]+ 244.04928 153.9
[M-H]- 220.05278 146.4
[M+NH4]+ 239.09388 160.6
[M+K]+ 260.02322 150.1
[M+H-H2O]+ 204.05732 135.7
[M+HCOO]- 266.05826 165.7
[M+CH3COO]- 280.07391 187.3
[M+Na-2H]- 242.03473 147.0
[M]+ 221.05951 141.9
[M]- 221.06061 141.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.