CID 102630

2-bromo-2-phenylacetophenone

Structural Information

Molecular Formula

C₁₄H₁₁BrO

SMILES

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

InChI

InChI=1S/C14H11BrO/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,13H

InChIKey

ZFFBIQMNKOJDJE-UHFFFAOYSA-N

Compound name

2-bromo-1,2-diphenylethanone

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 2
References: 10882
Patents: 273.99933 Da
Monoisotopic Mass: 3.6
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]+	275.00661	149.0
[M+Na]+	296.98855	154.1
[M+NH4]+	292.03315	154.7
[M+K]+	312.96249	152.8
[M-H]-	272.99205	152.1
[M+Na-2H]-	294.97400	155.9
[M]+	273.99878	149.6
[M]-	273.99988	149.6

Literature stripe

literature stripe

Patent stripe

patents stripe