CID 3694508

2-(4-chlorophenoxy)malondialdehyde

Structural Information

Molecular Formula
C9H7ClO3
SMILES
C1=CC(=CC=C1OC(C=O)C=O)Cl
InChI
InChI=1S/C9H7ClO3/c10-7-1-3-8(4-2-7)13-9(5-11)6-12/h1-6,9H
InChIKey
PXSIXELVDKBAKQ-UHFFFAOYSA-N
Compound name
2-(4-chlorophenoxy)propanedial
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

198.00838 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.01566 136.7
[M+Na]+ 220.99760 150.2
[M+NH4]+ 216.04220 144.8
[M+K]+ 236.97154 143.7
[M-H]- 197.00110 138.0
[M+Na-2H]- 218.98305 143.5
[M]+ 198.00783 139.1
[M]- 198.00893 139.1
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