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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 630.95894 201.5
[M+Na]+ 652.94088 200.5
[M-H]- 628.94438 201.0
[M+NH4]+ 647.98548 208.6
[M+K]+ 668.91482 200.5
[M+H-H2O]+ 612.94892 192.7
[M+HCOO]- 674.94986 204.4
[M+CH3COO]- 688.96551 239.2
[M+Na-2H]- 650.92633 205.0
[M]+ 629.95111 202.1
[M]- 629.95221 202.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.