CID 11268306

(4-bromophenyl)diphenylphosphine oxide

Structural Information

Molecular Formula

C₁₈H₁₄BrOP

SMILES

C1=CC=C(C=C1)P(=O)(C2=CC=CC=C2)C3=CC=C(C=C3)Br

InChI

InChI=1S/C18H14BrOP/c19-15-11-13-18(14-12-15)21(20,16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14H

InChIKey

PCYBTUUJXASDIX-UHFFFAOYSA-N

Compound name

1-bromo-4-diphenylphosphorylbenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 486
Patents: 355.99655 Da
Monoisotopic Mass: 3.5
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]+	357.00383	170.5
[M+Na]+	378.98577	177.2
[M+NH4]+	374.03037	176.1
[M+K]+	394.95971	174.5
[M-H]-	354.98927	175.3
[M+Na-2H]-	376.97122	179.2
[M]+	355.99600	172.0
[M]-	355.99710	172.0

Literature stripe

literature stripe

Patent stripe

patents stripe