CID 13303408

3-pyrazolecarboxylic acid, 4-amino-5-(p-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]+ 222.067336 144.7
[M+Na]+ 244.049278 153.9
[M-H]- 220.052784 145.5
[M+NH4]+ 239.093883 160.4
[M+K]+ 260.023218 149.2
[M+H-H2O]+ 204.057320 136.4
[M+HCOO]- 266.058261 164.6
[M+CH3COO]- 280.073911 185.0
[M+Na-2H]- 242.034726 147.0
[M]+ 221.05951142 140.5
[M]- 221.06060858 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

literature stripe

Patent stripe

No patent data available for this compound.