CID 16683184

Nsc640197

Structural Information

Molecular Formula

C₁₆H₃₁O₆P₂S₄Sb

SMILES

CCC1(COP(=S)(OC1)S[Sb](OC(=O)C)SP2(=S)OCC(CO2)(CC)CC)CC

InChI

InChI=1S/2C7H15O2PS2.C2H4O2.Sb/c2*1-3-7(4-2)5-8-10(11,12)9-6-7;1-2(3)4;/h2*3-6H2,1-2H3,(H,11,12);1H3,(H,3,4);/q;;;+3/p-3

InChIKey

BJGVEIRPNGNJNZ-UHFFFAOYSA-K

Compound name

bis[(5,5-diethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinan-2-yl)sulfanyl]stibanyl acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 629.95166 Da
Monoisotopic Mass: None
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]+	630.958936	201.5
[M+Na]+	652.940878	200.5
[M-H]-	628.944384	201.0
[M+NH4]+	647.985483	208.6
[M+K]+	668.914818	200.5
[M+H-H2O]+	612.948920	192.7
[M+HCOO]-	674.949861	204.4
[M+CH3COO]-	688.965511	239.2
[M+Na-2H]-	650.926326	205.0
[M]+	629.95111142	202.1
[M]-	629.95220858	202.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.