CID 16684094

52628-34-9

Structural Information

Molecular Formula
C36H74O4S3Sn2
SMILES
CCCC[Sn](CCCC)(SCC(=O)OCCCCCC(C)C)S[Sn](CCCC)(CCCC)SCC(=O)OCCCCCC(C)C
InChI
InChI=1S/2C10H20O2S.4C4H9.S.2Sn/c2*1-9(2)6-4-3-5-7-12-10(11)8-13;4*1-3-4-2;;;/h2*9,13H,3-8H2,1-2H3;4*1,3-4H2,2H3;;;/q;;;;;;;2*+1/p-2
InChIKey
DFLAZBAZSZETSL-UHFFFAOYSA-L
Compound name
6-methylheptyl 2-[dibutyl-[dibutyl-[2-(6-methylheptoxy)-2-oxoethyl]sulfanylstannyl]sulfanylstannyl]sulfanylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

906.27936 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 907.28664 324.9
[M+Na]+ 929.26858 324.6
[M-H]- 905.27208 306.5
[M+NH4]+ 924.31318 330.3
[M+K]+ 945.24252 334.1
[M+H-H2O]+ 889.27662 320.7
[M+HCOO]- 951.27756 321.8
[M+CH3COO]- 965.29321 283.2
[M+Na-2H]- 927.25403 302.0
[M]+ 906.27881 326.6
[M]- 906.27991 326.6
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.