CID 2762988

3,5-dichloro-4-pyridinecarboxaldehyde

Structural Information

Molecular Formula

C₆H₃Cl₂NO

SMILES

C1=C(C(=C(C=N1)Cl)C=O)Cl

InChI

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

InChIKey

RBFNWOINNIOZKR-UHFFFAOYSA-N

Compound name

3,5-dichloropyridine-4-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 640
Patents: 174.95917 Da
Monoisotopic Mass: 1.6
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	126.7
[M+Na]+	197.94839	138.5
[M-H]-	173.95189	128.9
[M+NH4]+	192.99299	147.3
[M+K]+	213.92233	133.9
[M+H-H2O]+	157.95643	122.4
[M+HCOO]-	219.95737	141.5
[M+CH3COO]-	233.97302	177.1
[M+Na-2H]-	195.93384	134.0
[M]+	174.95862	130.2
[M]-	174.95972	130.2

Literature stripe

literature stripe

Patent stripe

patents stripe