CID 12189271

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

Structural Information

Molecular Formula
C10H7FN2O2
SMILES
C1=CC(=CC(=C1)F)C2=C(C=NN2)C(=O)O
InChI
InChI=1S/C10H7FN2O2/c11-7-3-1-2-6(4-7)9-8(10(14)15)5-12-13-9/h1-5H,(H,12,13)(H,14,15)
InChIKey
HJVSMYJDZQWISE-UHFFFAOYSA-N
Compound name
5-(3-fluorophenyl)-1H-pyrazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.04915 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.05643 143.4
[M+Na]+ 229.03837 154.9
[M+NH4]+ 224.08297 149.5
[M+K]+ 245.01231 151.8
[M-H]- 205.04187 142.9
[M+Na-2H]- 227.02382 149.3
[M]+ 206.04860 144.5
[M]- 206.04970 144.5
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.