CID 9576262

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

Structural Information

Molecular Formula
C48H92O4S2Sn
SMILES
CCCCCCCC/C=C/CCCCCCCC(=O)OCCS[Sn](SCCOC(=O)CCCCCCC/C=C/CCCCCCCC)(CCCC)CCCC
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/b2*10-9+;;;
InChIKey
DUHOHCDHGJKLNY-YXXUKKGOSA-L
Compound name
2-[dibutyl-[2-[(E)-octadec-9-enoyl]oxyethylsulfanyl]stannyl]sulfanylethyl (E)-octadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
3
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]+ 917.553176 336.3
[M+Na]+ 939.535118 336.5
[M-H]- 915.538624 312.8
[M+NH4]+ 934.579723 338.2
[M+K]+ 955.509058 345.7
[M+H-H2O]+ 899.543160 332.2
[M+HCOO]- 961.544101 336.1
[M+CH3COO]- 975.559751 302.3
[M+Na-2H]- 937.520566 310.6
[M]+ 916.54535142 337.2
[M]- 916.54644858 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.