CID 9576294

67859-64-7

Structural Information

Molecular Formula
C42H76O4S2Sn
SMILES
CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCCS[Sn](SCCOC(=O)CCCCCCC/C=C\C/C=C\CCCCC)(C)C
InChI
InChI=1S/2C20H36O2S.2CH3.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(21)22-18-19-23;;;/h2*6-7,9-10,23H,2-5,8,11-19H2,1H3;2*1H3;/q;;;;+2/p-2/b2*7-6-,10-9-;;;
InChIKey
UKIZQXMWVOWDOF-ZHEBOFABSA-L
Compound name
2-[dimethyl-[2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxyethylsulfanyl]stannyl]sulfanylethyl (9Z,12Z)-octadeca-9,12-dienoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

828.4207 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 829.42798 295.6
[M+Na]+ 851.40992 302.3
[M+NH4]+ 846.45452 297.2
[M+K]+ 867.38386 297.8
[M-H]- 827.41342 279.8
[M+Na-2H]- 849.39537 292.8
[M]+ 828.42015 293.1
[M]- 828.42125 293.1
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.