CID 18516123

3,4-dichloropyridine-2-carbaldehyde

Structural Information

Molecular Formula

C₆H₃Cl₂NO

SMILES

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

InChI

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

InChIKey

MBODELDJDBEGMV-UHFFFAOYSA-N

Compound name

3,4-dichloropyridine-2-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
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]+	175.96645	127.9
[M+Na]+	197.94839	143.9
[M+NH4]+	192.99299	137.3
[M+K]+	213.92233	136.1
[M-H]-	173.95189	129.8
[M+Na-2H]-	195.93384	136.2
[M]+	174.95862	131.4
[M]-	174.95972	131.4

Literature stripe

literature stripe

Patent stripe

patents stripe