CID 11535654

71690-05-6

Structural Information

Molecular Formula

C₆H₃Cl₂NO

SMILES

C1=C(C=NC(=C1Cl)Cl)C=O

InChI

InChI=1S/C6H3Cl2NO/c7-5-1-4(3-10)2-9-6(5)8/h1-3H

InChIKey

ROSCFXKNBQZLFC-UHFFFAOYSA-N

Compound name

5,6-dichloropyridine-3-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 309
Patents: 174.95917 Da
Monoisotopic Mass: 1.9
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]+	175.966446	126.7
[M+Na]+	197.948388	138.5
[M-H]-	173.951894	128.9
[M+NH4]+	192.992993	147.3
[M+K]+	213.922328	133.9
[M+H-H2O]+	157.956430	122.4
[M+HCOO]-	219.957371	141.5
[M+CH3COO]-	233.973021	177.1
[M+Na-2H]-	195.933836	134.0
[M]+	174.95862142	130.2
[M]-	174.95971858	130.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe