CID 609454

2-(4-chlorophenoxy)nicotinic acid

Structural Information

Molecular Formula

C₁₂H₈ClNO₃

SMILES

C1=CC(=C(N=C1)OC2=CC=C(C=C2)Cl)C(=O)O

InChI

InChI=1S/C12H8ClNO3/c13-8-3-5-9(6-4-8)17-11-10(12(15)16)2-1-7-14-11/h1-7H,(H,15,16)

InChIKey

FVAZJGJEENAKRJ-UHFFFAOYSA-N

Compound name

2-(4-chlorophenoxy)pyridine-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 44
Patents: 249.01927 Da
Monoisotopic Mass: 2.9
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]+	250.02655	150.4
[M+Na]+	272.00849	165.9
[M+NH4]+	267.05309	158.4
[M+K]+	287.98243	159.0
[M-H]-	248.01199	153.5
[M+Na-2H]-	269.99394	159.5
[M]+	249.01872	153.8
[M]-	249.01982	153.8

Literature stripe

literature stripe

Patent stripe

patents stripe