CID 1201021

79674-59-2

Structural Information

Molecular Formula

C₇H₆ClNO₃

SMILES

C1=CC(=NC=C1Cl)OCC(=O)O

InChI

InChI=1S/C7H6ClNO3/c8-5-1-2-6(9-3-5)12-4-7(10)11/h1-3H,4H2,(H,10,11)

InChIKey

RRKHLHRDNNAYJU-UHFFFAOYSA-N

Compound name

2-(5-chloropyridin-2-yl)oxyacetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 27
Patents: 187.00362 Da
Monoisotopic Mass: 1.4
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]+	188.01090	132.1
[M+Na]+	209.99284	141.6
[M-H]-	185.99634	133.4
[M+NH4]+	205.03744	150.8
[M+K]+	225.96678	138.7
[M+H-H2O]+	170.00088	126.9
[M+HCOO]-	232.00182	149.9
[M+CH3COO]-	246.01747	176.3
[M+Na-2H]-	207.97829	138.8
[M]+	187.00307	135.3
[M]-	187.00417	135.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe