CID 9576571

Einecs 273-018-1

Structural Information

Molecular Formula
C38H76O4S2Sn
SMILES
CCCCCCCCCCCCCCCC(=O)OCCS[Sn](C)(C)SCCOC(=O)CCCCCCCCCCCCCCC
InChI
InChI=1S/2C18H36O2S.2CH3.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(19)20-16-17-21;;;/h2*21H,2-17H2,1H3;2*1H3;/q;;;;+2/p-2
InChIKey
NBSFHVIPHKQBSK-UHFFFAOYSA-L
Compound name
2-[2-hexadecanoyloxyethylsulfanyl(dimethyl)stannyl]sulfanylethyl hexadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

780.4207 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 781.42798 307.8
[M+Na]+ 803.40992 308.5
[M-H]- 779.41342 286.3
[M+NH4]+ 798.45452 309.3
[M+K]+ 819.38386 314.7
[M+H-H2O]+ 763.41796 304.6
[M+HCOO]- 825.41890 309.7
[M+CH3COO]- 839.43455 278.9
[M+Na-2H]- 801.39537 285.1
[M]+ 780.42015 309.1
[M]- 780.42125 309.1
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.