CID 117907

Diisooctyl dithiophosphate

Structural Information

Molecular Formula

C₁₆H₃₅O₂PS₂

SMILES

CC(C)CCCCCOP(=S)(OCCCCCC(C)C)S

InChI

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

InChIKey

DXECDJILNIXBML-UHFFFAOYSA-N

Compound name

bis(6-methylheptoxy)-sulfanyl-sulfanylidene-lambda5-phosphane

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 3343
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	184.3
[M+Na]+	377.17082	189.6
[M+NH4]+	372.21542	190.1
[M+K]+	393.14476	180.9
[M-H]-	353.17432	182.1
[M+Na-2H]-	375.15627	182.8
[M]+	354.18105	185.1
[M]-	354.18215	185.1

Literature stripe

literature stripe

Patent stripe

patents stripe