CID 66545164

6-chloro-5-hydroxypyridine-2-carbaldehyde

Structural Information

Molecular Formula

C₆H₄ClNO₂

SMILES

C1=CC(=C(N=C1C=O)Cl)O

InChI

InChI=1S/C6H4ClNO2/c7-6-5(10)2-1-4(3-9)8-6/h1-3,10H

InChIKey

KNVHDPIGEREOOU-UHFFFAOYSA-N

Compound name

6-chloro-5-hydroxypyridine-2-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 156.99306 Da
Monoisotopic Mass: 1.3
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]+	158.000336	124.5
[M+Na]+	179.982278	135.7
[M-H]-	155.985784	126.3
[M+NH4]+	175.026883	144.8
[M+K]+	195.956218	132.1
[M+H-H2O]+	139.990320	119.9
[M+HCOO]-	201.991261	143.4
[M+CH3COO]-	216.006911	171.5
[M+Na-2H]-	177.967726	132.2
[M]+	156.99251142	126.8
[M]-	156.99360858	126.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe