CID 348303

3,3'-dichlorobenzophenone

Structural Information

Molecular Formula

C₁₃H₈Cl₂O

SMILES

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

InChI

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

InChIKey

JSNQEKVWLZDWEG-UHFFFAOYSA-N

Compound name

bis(3-chlorophenyl)methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 275
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	149.0
[M+Na]+	272.98444	159.2
[M-H]-	248.98794	155.3
[M+NH4]+	268.02904	167.5
[M+K]+	288.95838	152.7
[M+H-H2O]+	232.99248	143.7
[M+HCOO]-	294.99342	163.4
[M+CH3COO]-	309.00907	191.7
[M+Na-2H]-	270.96989	153.8
[M]+	249.99467	152.1
[M]-	249.99577	152.1

Literature stripe

literature stripe

Patent stripe

patents stripe