CID 99399

Phosphine sulfide, butyldipentyl-

Structural Information

Molecular Formula

C₁₄H₃₁PS

SMILES

CCCCCP(=S)(CCCC)CCCCC

InChI

InChI=1S/C14H31PS/c1-4-7-10-13-15(16,12-9-6-3)14-11-8-5-2/h4-14H2,1-3H3

InChIKey

LOAKUCDZDKAVJM-UHFFFAOYSA-N

Compound name

butyl-dipentyl-sulfanylidene-lambda5-phosphane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 262.18842 Da
Monoisotopic Mass: 5.9
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]+	263.19570	169.4
[M+Na]+	285.17764	173.6
[M-H]-	261.18114	167.5
[M+NH4]+	280.22224	187.8
[M+K]+	301.15158	169.9
[M+H-H2O]+	245.18568	161.2
[M+HCOO]-	307.18662	189.4
[M+CH3COO]-	321.20227	201.9
[M+Na-2H]-	283.16309	165.8
[M]+	262.18787	176.1
[M]-	262.18897	176.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe