CID 72868

4,4'-dibromobenzophenone

Structural Information

Molecular Formula

C₁₃H₈Br₂O

SMILES

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

InChI

InChI=1S/C13H8Br2O/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8H

InChIKey

LFABNOYDEODDFX-UHFFFAOYSA-N

Compound name

bis(4-bromophenyl)methanone

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 4
References: 1370
Patents: 337.8942 Da
Monoisotopic Mass: 5.0
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]+	338.90148	152.5
[M+Na]+	360.88342	149.2
[M+NH4]+	355.92802	155.0
[M+K]+	376.85736	154.6
[M-H]-	336.88692	154.8
[M+Na-2H]-	358.86887	156.1
[M]+	337.89365	151.7
[M]-	337.89475	151.7

Literature stripe

literature stripe

Patent stripe

patents stripe