CID 73556101

9-octadecenoic acid (9z)-, (dibutylstannylene)bis(thio-2,1-ethanediyl) ester

Structural Information

Molecular Formula
C48H92O4S2Sn
SMILES
CCCCCCCCC=CCCCCCCCC(=O)OCCS[Sn](CCCC)(CCCC)SCCOC(=O)CCCCCCCC=CCCCCCCCC
InChI
InChI=1S/2C20H38O2S.2C4H9.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;2*1-3-4-2;/h2*9-10,23H,2-8,11-19H2,1H3;2*1,3-4H2,2H3;/q;;;;+2/p-2
InChIKey
DUHOHCDHGJKLNY-UHFFFAOYSA-L
Compound name
2-[dibutyl(2-octadec-9-enoyloxyethylsulfanyl)stannyl]sulfanylethyl octadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

916.5459 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 917.55318 336.3
[M+Na]+ 939.53512 336.5
[M-H]- 915.53862 312.8
[M+NH4]+ 934.57972 338.2
[M+K]+ 955.50906 345.7
[M+H-H2O]+ 899.54316 332.2
[M+HCOO]- 961.54410 336.1
[M+CH3COO]- 975.55975 302.3
[M+Na-2H]- 937.52057 310.6
[M]+ 916.54535 337.2
[M]- 916.54645 337.2
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.