CID 80494

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

InChIKey

LLUPHTAYNHAVQT-UHFFFAOYSA-N

Compound name

(3,4-dichlorophenyl)-phenylmethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 286
Patents: 249.99522 Da
Monoisotopic Mass: 4.7
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	150.5
[M+Na]+	272.98444	168.0
[M+NH4]+	268.02904	160.7
[M+K]+	288.95838	158.5
[M-H]-	248.98794	155.7
[M+Na-2H]-	270.96989	161.2
[M]+	249.99467	155.4
[M]-	249.99577	155.4

Literature stripe

literature stripe

Patent stripe

patents stripe