CID 9576298

Dimethyltinbis(2-(decanoyloxy)ethylmercaptide)

Structural Information

Molecular Formula
C26H52O4S2Sn
SMILES
CCCCCCCCCC(=O)OCCS[Sn](C)(C)SCCOC(=O)CCCCCCCCC
InChI
InChI=1S/2C12H24O2S.2CH3.Sn/c2*1-2-3-4-5-6-7-8-9-12(13)14-10-11-15;;;/h2*15H,2-11H2,1H3;2*1H3;/q;;;;+2/p-2
InChIKey
DMYHHVFPBUNVAT-UHFFFAOYSA-L
Compound name
2-[2-decanoyloxyethylsulfanyl(dimethyl)stannyl]sulfanylethyl decanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

612.2329 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 613.24018 250.0
[M+Na]+ 635.22212 268.8
[M-H]- 611.22562 249.0
[M+NH4]+ 630.26672 267.8
[M+K]+ 651.19606 240.3
[M+H-H2O]+ 595.23016 240.1
[M+HCOO]- 657.23110 272.5
[M+CH3COO]- 671.24675 246.6
[M+Na-2H]- 633.20757 239.6
[M]+ 612.23235 268.1
[M]- 612.23345 268.1
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.