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

5
Annotation Hits: 0
References: 3002
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]+	355.188876	185.7
[M+Na]+	377.170818	187.7
[M-H]-	353.174324	182.9
[M+NH4]+	372.215423	199.9
[M+K]+	393.144758	183.8
[M+H-H2O]+	337.178860	176.2
[M+HCOO]-	399.179801	197.9
[M+CH3COO]-	413.195451	217.0
[M+Na-2H]-	375.156266	178.2
[M]+	354.18105142	194.8
[M]-	354.18214858	194.8

Literature stripe

literature stripe

Patent stripe

patents stripe