CID 2735534

2-bromobenzophenone

Structural Information

Molecular Formula

SMILES

C1=CC=C(C=C1)C(=O)C2=CC=CC=C2Br

InChI

InChI=1S/C13H9BrO/c14-12-9-5-4-8-11(12)13(15)10-6-2-1-3-7-10/h1-9H

InChIKey

ABEVIHIQUUXDMS-UHFFFAOYSA-N

Compound name

(2-bromophenyl)-phenylmethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 648
Patents: 259.98367 Da
Monoisotopic Mass: 4.0
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]+	260.990946	148.9
[M+Na]+	282.972888	159.7
[M-H]-	258.976394	158.1
[M+NH4]+	278.017493	169.0
[M+K]+	298.946828	148.3
[M+H-H2O]+	242.980930	148.6
[M+HCOO]-	304.981871	170.5
[M+CH3COO]-	318.997521	192.1
[M+Na-2H]-	280.958336	156.4
[M]+	259.98312142	166.8
[M]-	259.98421858	166.8

Literature stripe

literature stripe

Patent stripe

patents stripe