CID 105418

67361-76-6

Structural Information

Molecular Formula
C64H120O6S3Sn
SMILES
CCCCCCCCC=CCCCCCCCC(=O)OCCS[Sn](CCCC)(SCCOC(=O)CCCCCCCC=CCCCCCCCC)SCCOC(=O)CCCCCCCC=CCCCCCCCC
InChI
InChI=1S/3C20H38O2S.C4H9.Sn/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(21)22-18-19-23;1-3-4-2;/h3*9-10,23H,2-8,11-19H2,1H3;1,3-4H2,2H3;/q;;;;+3/p-3
InChIKey
KZNCWKWZCOKAJR-UHFFFAOYSA-K
Compound name
2-[butyl-bis(2-octadec-9-enoyloxyethylsulfanyl)stannyl]sulfanylethyl octadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

1200.7269 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1201.7342 372.8
[M+Na]+ 1223.7161 378.7
[M+NH4]+ 1218.7607 375.8
[M+K]+ 1239.6901 376.9
[M-H]- 1199.7196 352.8
[M+Na-2H]- 1221.7016 363.8
[M]+ 1200.7264 370.1
[M]- 1200.7274 370.1
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.