CID 9577257

84030-61-5

Structural Information

Molecular Formula
C44H88O4S2Sn
SMILES
CCCCCCCCCCCC[Sn](CCCCCCCCCCCC)(SCC(=O)OCCCCCC(C)C)SCC(=O)OCCCCCC(C)C
InChI
InChI=1S/2C12H25.2C10H20O2S.Sn/c2*1-3-5-7-9-11-12-10-8-6-4-2;2*1-9(2)6-4-3-5-7-12-10(11)8-13;/h2*1,3-12H2,2H3;2*9,13H,3-8H2,1-2H3;/q;;;;+2/p-2
InChIKey
YYUCEVXCMMVFLI-UHFFFAOYSA-L
Compound name
6-methylheptyl 2-[didodecyl-[2-(6-methylheptoxy)-2-oxoethyl]sulfanylstannyl]sulfanylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

864.5146 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 865.52188 309.8
[M+Na]+ 887.50382 314.5
[M+NH4]+ 882.54842 313.1
[M+K]+ 903.47776 310.9
[M-H]- 863.50732 292.8
[M+Na-2H]- 885.48927 305.4
[M]+ 864.51405 306.8
[M]- 864.51515 306.8
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