CID 3465472

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

Structural Information

Molecular Formula
C10H7FN2O2
SMILES
C1=CC(=CC=C1C2=C(C=NN2)C(=O)O)F
InChI
InChI=1S/C10H7FN2O2/c11-7-3-1-6(2-4-7)9-8(10(14)15)5-12-13-9/h1-5H,(H,12,13)(H,14,15)
InChIKey
PVFRXBPKNHHXFE-UHFFFAOYSA-N
Compound name
5-(4-fluorophenyl)-1H-pyrazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

19
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 140.5
[M+Na]+ 229.03837 149.7
[M-H]- 205.04187 141.4
[M+NH4]+ 224.08297 157.0
[M+K]+ 245.01231 145.4
[M+H-H2O]+ 189.04641 132.3
[M+HCOO]- 251.04735 159.9
[M+CH3COO]- 265.06300 179.2
[M+Na-2H]- 227.02382 144.0
[M]+ 206.04860 137.5
[M]- 206.04970 137.5
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

patents stripe