CID 22062

Phoslex dt 8

Structural Information

Molecular Formula

C₁₆H₃₅O₂PS₂

SMILES

CCCCC(CC)COP(=S)(OCC(CC)CCCC)S

InChI

InChI=1S/C16H35O2PS2/c1-5-9-11-15(7-3)13-17-19(20,21)18-14-16(8-4)12-10-6-2/h15-16H,5-14H2,1-4H3,(H,20,21)

InChIKey

DQNJHGSFNUDORY-UHFFFAOYSA-N

Compound name

bis(2-ethylhexoxy)-sulfanyl-sulfanylidene-lambda5-phosphane

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 3
References: 1588
Patents: 354.1816 Da
Monoisotopic Mass: 7.9
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]+	355.18888	185.7
[M+Na]+	377.17082	187.7
[M-H]-	353.17432	182.9
[M+NH4]+	372.21542	199.9
[M+K]+	393.14476	183.8
[M+H-H2O]+	337.17886	176.2
[M+HCOO]-	399.17980	197.9
[M+CH3COO]-	413.19545	217.0
[M+Na-2H]-	375.15627	178.2
[M]+	354.18105	194.8
[M]-	354.18215	194.8

Literature stripe

literature stripe

Patent stripe

patents stripe