CID 44151269

84787-80-4

Structural Information

Molecular Formula
C46H96O6S2Sn3
SMILES
CCCCC(CC)CO[Sn](CCCC)(CCCC)OC(=O)CCS[Sn](CCCC)(CCCC)SCCC(=O)O[Sn](CCCC)(CCCC)OCC(CC)CCCC
InChI
InChI=1S/2C8H17O.6C4H9.2C3H6O2S.3Sn/c2*1-3-5-6-8(4-2)7-9;6*1-3-4-2;2*4-3(5)1-2-6;;;/h2*8H,3-7H2,1-2H3;6*1,3-4H2,2H3;2*6H,1-2H2,(H,4,5);;;/q2*-1;;;;;;;;;3*+2/p-4
InChIKey
WCTDFLQCXMYEDC-UHFFFAOYSA-J
Compound name
[dibutyl(2-ethylhexoxy)stannyl] 3-[dibutyl-[3-[dibutyl(2-ethylhexoxy)stannyl]oxy-3-oxopropyl]sulfanylstannyl]sulfanylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

1168.3715 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1169.378776 368.4
[M+Na]+ 1191.360718 367.8
[M-H]- 1167.364224 353.1
[M+NH4]+ 1186.405323 378.7
[M+K]+ 1207.334658 382.0
[M+H-H2O]+ 1151.368760 362.0
[M+HCOO]- 1213.369701 363.3
[M+CH3COO]- 1227.385351 315.4
[M+Na-2H]- 1189.346166 340.7
[M]+ 1168.37095142 369.4
[M]- 1168.37204858 369.4
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.