CID 23120510

845826-99-5

Structural Information

Molecular Formula

C₁₂H₈FNO₂

SMILES

C1=CC(=CC=C1C2=CN=C(C=C2)C(=O)O)F

InChI

InChI=1S/C12H8FNO2/c13-10-4-1-8(2-5-10)9-3-6-11(12(15)16)14-7-9/h1-7H,(H,15,16)

InChIKey

BVDMIKPXCXAARR-UHFFFAOYSA-N

Compound name

5-(4-fluorophenyl)pyridine-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 34
Patents: 217.05391 Da
Monoisotopic Mass: 2.4
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]+	218.06119	143.5
[M+Na]+	240.04313	152.5
[M-H]-	216.04663	146.8
[M+NH4]+	235.08773	159.8
[M+K]+	256.01707	148.5
[M+H-H2O]+	200.05117	135.2
[M+HCOO]-	262.05211	164.3
[M+CH3COO]-	276.06776	185.1
[M+Na-2H]-	238.02858	149.1
[M]+	217.05336	141.8
[M]-	217.05446	141.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe