CID 737607

36404-88-3

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C6H4ClNO/c7-6-5(4-9)2-1-3-8-6/h1-4H

InChIKey

KHPAGGHFIDLUMB-UHFFFAOYSA-N

Compound name

2-chloropyridine-3-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 1471
Patents: 140.99814 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]+	142.00542	122.3
[M+Na]+	163.98736	137.5
[M+NH4]+	159.03196	131.6
[M+K]+	179.96130	130.1
[M-H]-	139.99086	124.3
[M+Na-2H]-	161.97281	130.9
[M]+	140.99759	125.3
[M]-	140.99869	125.3

Literature stripe

literature stripe

Patent stripe

patents stripe