CID 9576106

Dimethyltinbis(2-oleoyloxyethylmercaptide)

Structural Information

Molecular Formula
C42H80O4S2Sn
SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)OCCS[Sn](SCCOC(=O)CCCCCCC/C=C\CCCCCCCC)(C)C
InChI
InChI=1S/2C20H38O2S.2CH3.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(21)22-18-19-23;;;/h2*9-10,23H,2-8,11-19H2,1H3;2*1H3;/q;;;;+2/p-2/b2*10-9-;;;
InChIKey
MFXDUVSSNLTXGV-BGSQTJHASA-L
Compound name
2-[dimethyl-[2-[(Z)-octadec-9-enoyl]oxyethylsulfanyl]stannyl]sulfanylethyl (Z)-octadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

832.452 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 833.45928 299.3
[M+Na]+ 855.44122 305.1
[M+NH4]+ 850.48582 300.9
[M+K]+ 871.41516 300.8
[M-H]- 831.44472 282.0
[M+Na-2H]- 853.42667 295.7
[M]+ 832.45145 296.2
[M]- 832.45255 296.2
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.