CID 3097453

7301-94-2

Structural Information

Molecular Formula

C₂₁H₂₀P

SMILES

CC=C[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/h2-18H,1H3/q+1

InChIKey

GTDZRCHHWHXSRA-UHFFFAOYSA-N

Compound name

triphenyl(prop-1-enyl)phosphanium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 131
Patents: 303.13025 Da
Monoisotopic Mass: 4.1
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]+	304.13753	180.6
[M+Na]+	326.11947	185.2
[M-H]-	302.12297	188.2
[M+NH4]+	321.16407	194.6
[M+K]+	342.09341	173.4
[M+H-H2O]+	286.12751	171.8
[M+HCOO]-	348.12845	206.6
[M+CH3COO]-	362.14410	198.5
[M+Na-2H]-	324.10492	185.2
[M]+	303.12970	177.6
[M]-	303.13080	177.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe