CID 105830

67859-62-5

Structural Information

Molecular Formula
C43H84O6S3Sn
SMILES
CCCCCCCCCCCC(=O)OCCS[Sn](C)(SCCOC(=O)CCCCCCCCCCC)SCCOC(=O)CCCCCCCCCCC
InChI
InChI=1S/3C14H28O2S.CH3.Sn/c3*1-2-3-4-5-6-7-8-9-10-11-14(15)16-12-13-17;;/h3*17H,2-13H2,1H3;1H3;/q;;;;+3/p-3
InChIKey
JGMFHVKIJWPIOD-UHFFFAOYSA-K
Compound name
2-[bis(2-dodecanoyloxyethylsulfanyl)-methylstannyl]sulfanylethyl dodecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

912.4452 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 913.45248 319.1
[M+Na]+ 935.43442 325.7
[M+NH4]+ 930.47902 322.7
[M+K]+ 951.40836 320.4
[M-H]- 911.43792 303.0
[M+Na-2H]- 933.41987 314.8
[M]+ 912.44465 317.0
[M]- 912.44575 317.0
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.