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 317.3
[M+Na]+ 855.44122 318.5
[M-H]- 831.44472 296.0
[M+NH4]+ 850.48582 319.3
[M+K]+ 871.41516 325.4
[M+H-H2O]+ 815.44926 313.8
[M+HCOO]- 877.45020 319.4
[M+CH3COO]- 891.46585 287.0
[M+Na-2H]- 853.42667 293.9
[M]+ 832.45145 318.1
[M]- 832.45255 318.1
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

patents stripe