CID 9576299

Dibutyltinbis(2-octanoyloxyethylmercaptide)

Structural Information

Molecular Formula
C28H56O4S2Sn
SMILES
CCCCCCCC(=O)OCCS[Sn](CCCC)(CCCC)SCCOC(=O)CCCCCCC
InChI
InChI=1S/2C10H20O2S.2C4H9.Sn/c2*1-2-3-4-5-6-7-10(11)12-8-9-13;2*1-3-4-2;/h2*13H,2-9H2,1H3;2*1,3-4H2,2H3;/q;;;;+2/p-2
InChIKey
NDXCWZHJPJGIML-UHFFFAOYSA-L
Compound name
2-[dibutyl(2-octanoyloxyethylsulfanyl)stannyl]sulfanylethyl octanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

640.2642 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 641.27148 273.3
[M+Na]+ 663.25342 275.6
[M-H]- 639.25692 255.4
[M+NH4]+ 658.29802 275.0
[M+K]+ 679.22736 277.9
[M+H-H2O]+ 623.26146 247.5
[M+HCOO]- 685.26240 278.9
[M+CH3COO]- 699.27805 252.1
[M+Na-2H]- 661.23887 254.8
[M]+ 640.26365 275.1
[M]- 640.26475 275.1
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.