CID 4342799

2-(3,4-dichlorophenyl)malondialdehyde

Structural Information

Molecular Formula

C₉H₆Cl₂O₂

SMILES

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

InChI

InChI=1S/C9H6Cl2O2/c10-8-2-1-6(3-9(8)11)7(4-12)5-13/h1-5,7H

InChIKey

FFKPYMPSYNYNAX-UHFFFAOYSA-N

Compound name

2-(3,4-dichlorophenyl)propanedial

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 215.97449 Da
Monoisotopic Mass: 2.9
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]+	216.98177	139.1
[M+Na]+	238.96371	153.9
[M+NH4]+	234.00831	147.8
[M+K]+	254.93765	146.4
[M-H]-	214.96721	140.8
[M+Na-2H]-	236.94916	146.1
[M]+	215.97394	142.3
[M]-	215.97504	142.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe