CID 2758154

4-(3,5-dichlorophenyl)benzaldehyde

Structural Information

Molecular Formula
C13H8Cl2O
SMILES
C1=CC(=CC=C1C=O)C2=CC(=CC(=C2)Cl)Cl
InChI
InChI=1S/C13H8Cl2O/c14-12-5-11(6-13(15)7-12)10-3-1-9(8-16)2-4-10/h1-8H
InChIKey
YEFGGURFOJFIMZ-UHFFFAOYSA-N
Compound name
4-(3,5-dichlorophenyl)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

61
Patents

249.99522 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.002496 149.1
[M+Na]+ 272.984438 160.5
[M-H]- 248.987944 155.7
[M+NH4]+ 268.029043 168.0
[M+K]+ 288.958378 153.7
[M+H-H2O]+ 232.992480 143.9
[M+HCOO]- 294.993421 164.5
[M+CH3COO]- 309.009071 192.0
[M+Na-2H]- 270.969886 154.3
[M]+ 249.99467142 153.1
[M]- 249.99576858 153.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe