CID 9576295

Einecs 267-413-8

Structural Information

Molecular Formula
C40H80O4S2Sn
SMILES
CCCCCCCCCCCCCC(=O)OCCS[Sn](CCCC)(CCCC)SCCOC(=O)CCCCCCCCCCCCC
InChI
InChI=1S/2C16H32O2S.2C4H9.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-16(17)18-14-15-19;2*1-3-4-2;/h2*19H,2-15H2,1H3;2*1,3-4H2,2H3;/q;;;;+2/p-2
InChIKey
LMCMMILYPGHPSE-UHFFFAOYSA-L
Compound name
2-[dibutyl(2-tetradecanoyloxyethylsulfanyl)stannyl]sulfanylethyl tetradecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

808.452 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 809.45928 314.5
[M+Na]+ 831.44122 314.8
[M-H]- 807.44472 292.2
[M+NH4]+ 826.48582 315.9
[M+K]+ 847.41516 321.8
[M+H-H2O]+ 791.44926 311.0
[M+HCOO]- 853.45020 315.6
[M+CH3COO]- 867.46585 284.2
[M+Na-2H]- 829.42667 290.9
[M]+ 808.45145 315.7
[M]- 808.45255 315.7
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.