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
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 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.