CID 4161863

Tributylhexylphosphonium bromide

Structural Information

Molecular Formula

C₁₈H₄₀P

SMILES

CCCCCC[P+](CCCC)(CCCC)CCCC

InChI

InChI=1S/C18H40P/c1-5-9-13-14-18-19(15-10-6-2,16-11-7-3)17-12-8-4/h5-18H2,1-4H3/q+1

InChIKey

VTFBDXOWNVTUKP-UHFFFAOYSA-N

Compound name

tributyl(hexyl)phosphanium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 454
Patents: 287.28677 Da
Monoisotopic Mass: 6.0
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]+	288.29405	188.4
[M+Na]+	310.27599	191.1
[M-H]-	286.27949	186.1
[M+NH4]+	305.32059	205.2
[M+K]+	326.24993	182.5
[M+H-H2O]+	270.28403	183.1
[M+HCOO]-	332.28497	211.6
[M+CH3COO]-	346.30062	204.8
[M+Na-2H]-	308.26144	188.5
[M]+	287.28622	194.4
[M]-	287.28732	194.4

Literature stripe

literature stripe

Patent stripe

patents stripe