CID 197741

Allyltriphenylphosphonium bromide

Structural Information

Molecular Formula

C₂₁H₂₀P

SMILES

C=CC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H20P/c1-2-18-22(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h2-17H,1,18H2/q+1

InChIKey

FLNRHACWTVIBQS-UHFFFAOYSA-N

Compound name

triphenyl(prop-2-enyl)phosphanium

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1
References: 2058
Patents: 303.13025 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]+	304.137526	180.4
[M+Na]+	326.119468	184.9
[M-H]-	302.122974	188.0
[M+NH4]+	321.164073	194.3
[M+K]+	342.093408	173.1
[M+H-H2O]+	286.127510	171.5
[M+HCOO]-	348.128451	206.4
[M+CH3COO]-	362.144101	199.2
[M+Na-2H]-	324.104916	185.1
[M]+	303.12970142	177.5
[M]-	303.13079858	177.5

Literature stripe

literature stripe

Patent stripe

patents stripe