CID 16684023

18403-67-3

Structural Information

Molecular Formula
C40H76O8S2Sn2
SMILES
CCCCC(CC)COC(=O)CS[Sn](CCCC)(CCCC)OC(=O)C=CC(=O)O[Sn](CCCC)(CCCC)SCC(=O)OCC(CC)CCCC
InChI
InChI=1S/2C10H20O2S.C4H4O4.4C4H9.2Sn/c2*1-3-5-6-9(4-2)7-12-10(11)8-13;5-3(6)1-2-4(7)8;4*1-3-4-2;;/h2*9,13H,3-8H2,1-2H3;1-2H,(H,5,6)(H,7,8);4*1,3-4H2,2H3;;/q;;;;;;;2*+2/p-4
InChIKey
CAZQGLFLXPFQNS-UHFFFAOYSA-J
Compound name
bis[dibutyl-[2-(2-ethylhexoxy)-2-oxoethyl]sulfanylstannyl] but-2-enedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

988.30255 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 989.309826 334.2
[M+Na]+ 1011.291768 336.4
[M-H]- 987.295274 325.3
[M+NH4]+ 1006.336373 347.9
[M+K]+ 1027.265708 345.7
[M+H-H2O]+ 971.299810 331.9
[M+HCOO]- 1033.300751 328.6
[M+CH3COO]- 1047.316401 295.0
[M+Na-2H]- 1009.277216 311.9
[M]+ 988.30200142 336.4
[M]- 988.30309858 336.4
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.