CID 72212507

2-chloro-3-hydroxyisonicotinaldehyde

Structural Information

Molecular Formula

C₆H₄ClNO₂

SMILES

C1=CN=C(C(=C1C=O)O)Cl

InChI

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

InChIKey

LBSUQAMABHLSQP-UHFFFAOYSA-N

Compound name

2-chloro-3-hydroxypyridine-4-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
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	124.5
[M+Na]+	179.98228	135.7
[M-H]-	155.98578	126.3
[M+NH4]+	175.02688	144.8
[M+K]+	195.95622	132.1
[M+H-H2O]+	139.99032	119.9
[M+HCOO]-	201.99126	143.4
[M+CH3COO]-	216.00691	171.5
[M+Na-2H]-	177.96773	132.2
[M]+	156.99251	126.8
[M]-	156.99361	126.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe