CID 9576302

67874-49-1

Structural Information

Molecular Formula
C18H36O4S2Sn
SMILES
CCCC[Sn](CCCC)(SCCOC(=O)CC)SCCOC(=O)CC
InChI
InChI=1S/2C5H10O2S.2C4H9.Sn/c2*1-2-5(6)7-3-4-8;2*1-3-4-2;/h2*8H,2-4H2,1H3;2*1,3-4H2,2H3;/q;;;;+2/p-2
InChIKey
LKNAWOKEAKBYGP-UHFFFAOYSA-L
Compound name
2-[dibutyl(2-propanoyloxyethylsulfanyl)stannyl]sulfanylethyl propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

500.1077 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 501.11498 218.1
[M+Na]+ 523.09692 218.4
[M-H]- 499.10042 214.9
[M+NH4]+ 518.14152 228.8
[M+K]+ 539.07086 213.6
[M+H-H2O]+ 483.10496 209.6
[M+HCOO]- 545.10590 223.1
[M+CH3COO]- 559.12155 224.1
[M+Na-2H]- 521.08237 210.9
[M]+ 500.10715 229.1
[M]- 500.10825 229.1
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.