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

9
Patents

215.97449 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.98177 137.8
[M+Na]+ 238.96371 148.5
[M-H]- 214.96721 141.4
[M+NH4]+ 234.00831 158.0
[M+K]+ 254.93765 143.4
[M+H-H2O]+ 198.97175 134.3
[M+HCOO]- 260.97269 152.6
[M+CH3COO]- 274.98834 185.3
[M+Na-2H]- 236.94916 142.4
[M]+ 215.97394 142.4
[M]- 215.97504 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