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

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.06006 Da
Monoisotopic Mass

1.7
XlogP (predicted)

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
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.