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 327.9
[M+Na]+ 941.32272 328.1
[M-H]- 917.32622 309.4
[M+NH4]+ 936.36732 332.2
[M+K]+ 957.29666 336.2
[M+H-H2O]+ 901.33076 322.8
[M+HCOO]- 963.33170 330.1
[M+CH3COO]- 977.34735 287.1
[M+Na-2H]- 939.30817 303.3
[M]+ 918.33295 328.4
[M]- 918.33405 328.4
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.