CID 66558

2,4'-dichlorobenzophenone

Structural Information

Molecular Formula

C₁₃H₈Cl₂O

SMILES

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

InChI

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

InChIKey

YXMYPHLWXBXNFF-UHFFFAOYSA-N

Compound name

(2-chlorophenyl)-(4-chlorophenyl)methanone

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1
References: 409
Patents: 249.99522 Da
Monoisotopic Mass: 4.4
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	149.0
[M+Na]+	272.984438	159.2
[M-H]-	248.987944	155.3
[M+NH4]+	268.029043	167.5
[M+K]+	288.958378	152.7
[M+H-H2O]+	232.992480	143.7
[M+HCOO]-	294.993421	163.4
[M+CH3COO]-	309.009071	191.7
[M+Na-2H]-	270.969886	153.8
[M]+	249.99467142	152.1
[M]-	249.99576858	152.1

Literature stripe

literature stripe

Patent stripe

patents stripe