CID 70579

Triphenylphosphine dibromide

Structural Information

Molecular Formula

C₁₈H₁₅Br₂P

SMILES

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

InChI

InChI=1S/C18H15Br2P/c19-21(20,16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H

InChIKey

OCXGTPDKNBIOTF-UHFFFAOYSA-N

Compound name

dibromo(triphenyl)-lambda5-phosphane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 6
References: 4677
Patents: 419.9278 Da
Monoisotopic Mass: 6.5
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]+	420.93508	184.5
[M+Na]+	442.91702	192.8
[M-H]-	418.92052	194.3
[M+NH4]+	437.96162	199.4
[M+K]+	458.89096	177.3
[M+H-H2O]+	402.92506	190.6
[M+HCOO]-	464.92600	203.4
[M+CH3COO]-	478.94165	195.9
[M+Na-2H]-	440.90247	186.8
[M]+	419.92725	216.7
[M]-	419.92835	216.7

Literature stripe

literature stripe

Patent stripe

patents stripe