CID 4342799

2-(3,4-dichlorophenyl)malonaldehyde

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

10
Patents

215.97449 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.981766 137.8
[M+Na]+ 238.963708 148.5
[M-H]- 214.967214 141.4
[M+NH4]+ 234.008313 158.0
[M+K]+ 254.937648 143.4
[M+H-H2O]+ 198.971750 134.3
[M+HCOO]- 260.972691 152.6
[M+CH3COO]- 274.988341 185.3
[M+Na-2H]- 236.949156 142.4
[M]+ 215.97394142 142.4
[M]- 215.97503858 142.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe