CID 3584386

2-(4-chlorophenyl)malonaldehyde

Structural Information

Molecular Formula
C9H7ClO2
SMILES
C1=CC(=CC=C1C(C=O)C=O)Cl
InChI
InChI=1S/C9H7ClO2/c10-9-3-1-7(2-4-9)8(5-11)6-12/h1-6,8H
InChIKey
BNSJYXRISGHNPY-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)propanedial
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

104
Patents

182.01346 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.020736 132.8
[M+Na]+ 205.002678 142.3
[M-H]- 181.006184 136.8
[M+NH4]+ 200.047283 153.7
[M+K]+ 220.976618 138.7
[M+H-H2O]+ 165.010720 128.3
[M+HCOO]- 227.011661 152.8
[M+CH3COO]- 241.027311 179.4
[M+Na-2H]- 202.988126 138.8
[M]+ 182.01291142 136.0
[M]- 182.01400858 136.0
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