CID 9576172

Einecs 261-612-3

Structural Information

Molecular Formula
C36H72O4S2Sn
SMILES
CCCCCCCC[Sn](CCCCCCCC)(SCCOC(=O)CCCCCCC)SCCOC(=O)CCCCCCC
InChI
InChI=1S/2C10H20O2S.2C8H17.Sn/c2*1-2-3-4-5-6-7-10(11)12-8-9-13;2*1-3-5-7-8-6-4-2;/h2*13H,2-9H2,1H3;2*1,3-8H2,2H3;/q;;;;+2/p-2
InChIKey
WZVSYXVXOCRCLO-UHFFFAOYSA-L
Compound name
2-[2-octanoyloxyethylsulfanyl(dioctyl)stannyl]sulfanylethyl octanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

752.3894 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 753.39668 301.1
[M+Na]+ 775.37862 302.1
[M-H]- 751.38212 280.3
[M+NH4]+ 770.42322 302.6
[M+K]+ 791.35256 307.5
[M+H-H2O]+ 735.38666 298.1
[M+HCOO]- 797.38760 303.7
[M+CH3COO]- 811.40325 273.7
[M+Na-2H]- 773.36407 279.2
[M]+ 752.38885 302.4
[M]- 752.38995 302.4
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.