CID 11181837

258864-54-9

Structural Information

Molecular Formula

C₃₂H₆₈P

SMILES

CCCCCCCCCCCCCC[P+](CCCCCC)(CCCCCC)CCCCCC

InChI

InChI=1S/C32H68P/c1-5-9-13-17-18-19-20-21-22-23-24-28-32-33(29-25-14-10-6-2,30-26-15-11-7-3)31-27-16-12-8-4/h5-32H2,1-4H3/q+1

InChIKey

PYVOHVLEZJMINC-UHFFFAOYSA-N

Compound name

trihexyl(tetradecyl)phosphanium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 13
References: 4879
Patents: 483.50586 Da
Monoisotopic Mass: 13.6
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]+	484.51314	245.6
[M+Na]+	506.49508	248.9
[M-H]-	482.49858	226.0
[M+NH4]+	501.53968	242.0
[M+K]+	522.46902	247.5
[M+H-H2O]+	466.50312	231.6
[M+HCOO]-	528.50406	260.3
[M+CH3COO]-	542.51971	246.2
[M+Na-2H]-	504.48053	227.6
[M]+	483.50531	243.8
[M]-	483.50641	243.8

Literature stripe

literature stripe

Patent stripe

patents stripe