CID 56956219

2-chloro-5-hydroxyisonicotinaldehyde

Structural Information

Molecular Formula

C₆H₄ClNO₂

SMILES

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

InChI

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

InChIKey

HZSDMQCOOUNXRC-UHFFFAOYSA-N

Compound name

2-chloro-5-hydroxypyridine-4-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 35
Patents: 156.99306 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]+	158.00034	125.6
[M+Na]+	179.98228	140.1
[M+NH4]+	175.02688	134.0
[M+K]+	195.95622	133.8
[M-H]-	155.98578	126.6
[M+Na-2H]-	177.96773	132.8
[M]+	156.99251	128.1
[M]-	156.99361	128.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe