CID 56842755

Dtxsid20889172

Structural Information

Molecular Formula
C42H84O6S4Sn2
SMILES
CCCCC(CC)COC(=O)CS[Sn](CCCC)(CCCC)S[Sn](CCCC)(SCC(=O)OCC(CC)CCCC)SCC(=O)OCC(CC)CCCC
InChI
InChI=1S/3C10H20O2S.3C4H9.S.2Sn/c3*1-3-5-6-9(4-2)7-12-10(11)8-13;3*1-3-4-2;;;/h3*9,13H,3-8H2,1-2H3;3*1,3-4H2,2H3;;;/q;;;;;;;+1;+2/p-3
InChIKey
IFFXFWBOXVLMQF-UHFFFAOYSA-K
Compound name
2-ethylhexyl 2-[dibutyl-[butyl-bis[[2-(2-ethylhexoxy)-2-oxoethyl]sulfanyl]stannyl]sulfanylstannyl]sulfanylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

1052.3195 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1053.3268 347.3
[M+Na]+ 1075.3087 344.6
[M-H]- 1051.3122 329.2
[M+NH4]+ 1070.3533 355.9
[M+K]+ 1091.2827 357.5
[M+H-H2O]+ 1035.3168 343.9
[M+HCOO]- 1097.3177 337.6
[M+CH3COO]- 1111.3334 300.4
[M+Na-2H]- 1073.2942 323.3
[M]+ 1052.3190 351.1
[M]- 1052.3200 351.1
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.