CID 19905903

311767-65-4

Structural Information

Molecular Formula

C₇H₄ClNO₂

SMILES

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

InChI

InChI=1S/C7H4ClNO2/c8-5-1-6(3-10)9-7(2-5)4-11/h1-4H

InChIKey

BSKSABGWROVHEE-UHFFFAOYSA-N

Compound name

4-chloropyridine-2,6-dicarbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 45
Patents: 168.99306 Da
Monoisotopic Mass: 1.1
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]+	170.00034	127.2
[M+Na]+	191.98228	138.7
[M-H]-	167.98578	130.2
[M+NH4]+	187.02688	147.6
[M+K]+	207.95622	135.1
[M+H-H2O]+	151.99032	122.1
[M+HCOO]-	213.99126	147.4
[M+CH3COO]-	228.00691	176.3
[M+Na-2H]-	189.96773	134.8
[M]+	168.99251	131.0
[M]-	168.99361	131.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe