CID 45120088

348635-39-2

Structural Information

Molecular Formula

C₆H₄ClNO₃

SMILES

C1=CN=C(C(=C1Cl)O)C(=O)O

InChI

InChI=1S/C6H4ClNO3/c7-3-1-2-8-4(5(3)9)6(10)11/h1-2,9H,(H,10,11)

InChIKey

JKSAUTCFPAQMMX-UHFFFAOYSA-N

Compound name

4-chloro-3-hydroxypyridine-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 41
Patents: 172.98798 Da
Monoisotopic Mass: 1.5
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]+	173.99526	127.7
[M+Na]+	195.97720	138.1
[M-H]-	171.98070	128.2
[M+NH4]+	191.02180	146.5
[M+K]+	211.95114	134.6
[M+H-H2O]+	155.98524	123.3
[M+HCOO]-	217.98618	144.3
[M+CH3COO]-	232.00183	172.0
[M+Na-2H]-	193.96265	133.7
[M]+	172.98743	129.0
[M]-	172.98853	129.0

Literature stripe

literature stripe

Patent stripe

patents stripe