CID 9576569

Dibutyltinbis(2-decanoyloxyethylmercaptide)

Structural Information

Molecular Formula
C32H64O4S2Sn
SMILES
CCCCCCCCCC(=O)OCCS[Sn](CCCC)(CCCC)SCCOC(=O)CCCCCCCCC
InChI
InChI=1S/2C12H24O2S.2C4H9.Sn/c2*1-2-3-4-5-6-7-8-9-12(13)14-10-11-15;2*1-3-4-2;/h2*15H,2-11H2,1H3;2*1,3-4H2,2H3;/q;;;;+2/p-2
InChIKey
HTVFLQXFALLVTP-UHFFFAOYSA-L
Compound name
2-[dibutyl(2-decanoyloxyethylsulfanyl)stannyl]sulfanylethyl decanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

696.3268 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 697.33408 287.4
[M+Na]+ 719.31602 289.0
[M-H]- 695.31952 268.1
[M+NH4]+ 714.36062 288.9
[M+K]+ 735.28996 292.9
[M+H-H2O]+ 679.32406 284.8
[M+HCOO]- 741.32500 291.5
[M+CH3COO]- 755.34065 263.0
[M+Na-2H]- 717.30147 267.2
[M]+ 696.32625 288.9
[M]- 696.32735 288.9
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.