CID 9576708

70969-72-1

Structural Information

Molecular Formula
C26H48O8S2Sn
SMILES
CCCC[Sn](CCCC)(SCCOC(=O)CCCCC(=O)OC)SCCOC(=O)CCCCC(=O)OC
InChI
InChI=1S/2C9H16O4S.2C4H9.Sn/c2*1-12-8(10)4-2-3-5-9(11)13-6-7-14;2*1-3-4-2;/h2*14H,2-7H2,1H3;2*1,3-4H2,2H3;/q;;;;+2/p-2
InChIKey
TWUWIQQYZCANIJ-UHFFFAOYSA-L
Compound name
6-O-[2-[dibutyl-[2-(6-methoxy-6-oxohexanoyl)oxyethylsulfanyl]stannyl]sulfanylethyl] 1-O-methyl hexanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

672.1813 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 673.18858 257.5
[M+Na]+ 695.17052 263.3
[M+NH4]+ 690.21512 263.1
[M+K]+ 711.14446 257.8
[M-H]- 671.17402 249.3
[M+Na-2H]- 693.15597 259.4
[M]+ 672.18075 257.0
[M]- 672.18185 257.0
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.