CID 3159617

138907-81-0

Structural Information

Molecular Formula

C₁₀H₇FN₂O₂

SMILES

C1=CC(=CC=C1N2C=C(C=N2)C(=O)O)F

InChI

InChI=1S/C10H7FN2O2/c11-8-1-3-9(4-2-8)13-6-7(5-12-13)10(14)15/h1-6H,(H,14,15)

InChIKey

VHGLETHNIUVDGO-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 56
Patents: 206.04915 Da
Monoisotopic Mass: 1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	207.05643	143.0
[M+Na]+	229.03837	155.1
[M+NH4]+	224.08297	149.6
[M+K]+	245.01231	151.7
[M-H]-	205.04187	143.1
[M+Na-2H]-	227.02382	149.6
[M]+	206.04860	144.5
[M]-	206.04970	144.5

Literature stripe

literature stripe

Patent stripe

patents stripe