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: 63
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]+	251.00250	150.1
[M+Na]+	272.98444	168.4
[M+NH4]+	268.02904	160.5
[M+K]+	288.95838	158.2
[M-H]-	248.98794	155.6
[M+Na-2H]-	270.96989	160.9
[M]+	249.99467	155.2
[M]-	249.99577	155.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe