CID 1085886

859155-87-6

Structural Information

Molecular Formula

C₁₀H₇FN₂O₂

SMILES

C1=CC=C(C(=C1)C2=NNC(=C2)C(=O)O)F

InChI

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

InChIKey

DAFWBGVQDOZAQL-UHFFFAOYSA-N

Compound name

3-(2-fluorophenyl)-1H-pyrazole-5-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 47
Patents: 206.04915 Da
Monoisotopic Mass: 1.8
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	143.4
[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

Literature stripe

literature stripe

Patent stripe

patents stripe