CID 3055226

72133-34-7

Structural Information

Molecular Formula

C₁₂H₈ClNO₃

SMILES

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

InChI

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

InChIKey

RBYCZLPCBDKRPG-UHFFFAOYSA-N

Compound name

5-(3-chlorophenoxy)pyridine-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 6
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]+	250.026546	149.0
[M+Na]+	272.008488	158.5
[M-H]-	248.011994	153.5
[M+NH4]+	267.053093	164.9
[M+K]+	287.982428	153.8
[M+H-H2O]+	232.016530	142.0
[M+HCOO]-	294.017471	166.5
[M+CH3COO]-	308.033121	188.3
[M+Na-2H]-	269.993936	154.8
[M]+	249.01872142	151.9
[M]-	249.01981858	151.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe