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: 62
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]+	207.056426	139.9
[M+Na]+	229.038368	149.5
[M-H]-	205.041874	142.2
[M+NH4]+	224.082973	157.2
[M+K]+	245.012308	146.1
[M+H-H2O]+	189.046410	131.4
[M+HCOO]-	251.047351	160.9
[M+CH3COO]-	265.063001	181.7
[M+Na-2H]-	227.023816	143.9
[M]+	206.04860142	138.8
[M]-	206.04969858	138.8

Literature stripe

literature stripe

Patent stripe

patents stripe