CID 73734

Allyltributylphosphonium chloride

Structural Information

Molecular Formula

C₁₅H₃₂P

SMILES

CCCC[P+](CCCC)(CCCC)CC=C

InChI

InChI=1S/C15H32P/c1-5-9-13-16(12-8-4,14-10-6-2)15-11-7-3/h8H,4-7,9-15H2,1-3H3/q+1

InChIKey

FCUPWNWJWSFDMX-UHFFFAOYSA-N

Compound name

tributyl(prop-2-enyl)phosphanium

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 1458
Patents: 243.22417 Da
Monoisotopic Mass: 4.3
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]+	244.23145	172.1
[M+Na]+	266.21339	176.3
[M-H]-	242.21689	170.3
[M+NH4]+	261.25799	190.6
[M+K]+	282.18733	167.9
[M+H-H2O]+	226.22143	167.5
[M+HCOO]-	288.22237	196.5
[M+CH3COO]-	302.23802	194.6
[M+Na-2H]-	264.19884	173.8
[M]+	243.22362	176.3
[M]-	243.22472	176.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe