CID 16684046

21986-78-7

Structural Information

Molecular Formula
C38H78O5S2Sn2
SMILES
CCCCCCCCOC(=O)CCS[Sn](CCCC)(CCCC)SCCC(=O)O[Sn](CCCC)(CCCC)OCCCCCCCC
InChI
InChI=1S/C11H22O2S.C8H17O.4C4H9.C3H6O2S.2Sn/c1-2-3-4-5-6-7-9-13-11(12)8-10-14;1-2-3-4-5-6-7-8-9;4*1-3-4-2;4-3(5)1-2-6;;/h14H,2-10H2,1H3;2-8H2,1H3;4*1,3-4H2,2H3;6H,1-2H2,(H,4,5);;/q;-1;;;;;;2*+2/p-3
InChIKey
UWIFBTKOEZYCIV-UHFFFAOYSA-K
Compound name
octyl 3-[dibutyl-[3-[dibutyl(octoxy)stannyl]oxy-3-oxopropyl]sulfanylstannyl]sulfanylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

918.3335 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 919.34078 293.9
[M+Na]+ 941.32272 299.0
[M+NH4]+ 936.36732 297.2
[M+K]+ 957.29666 294.4
[M-H]- 917.32622 277.1
[M+Na-2H]- 939.30817 290.7
[M]+ 918.33295 290.9
[M]- 918.33405 290.9
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.