CID 2758153

50670-78-5

Structural Information

Molecular Formula

C₁₃H₈Cl₂O

SMILES

C1=CC(=CC=C1C=O)C2=CC(=C(C=C2)Cl)Cl

InChI

InChI=1S/C13H8Cl2O/c14-12-6-5-11(7-13(12)15)10-3-1-9(8-16)2-4-10/h1-8H

InChIKey

OMFFUMDRNYYSFR-UHFFFAOYSA-N

Compound name

4-(3,4-dichlorophenyl)benzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 59
Patents: 249.99522 Da
Monoisotopic Mass: 4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe