CID 105830

Methyltintris(2-dodecanoyloxyethylmercaptide)

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 333.6
[M+Na]+ 935.43442 331.3
[M-H]- 911.43792 311.0
[M+NH4]+ 930.47902 337.1
[M+K]+ 951.40836 340.4
[M+H-H2O]+ 895.44246 330.5
[M+HCOO]- 957.44340 330.7
[M+CH3COO]- 971.45905 295.2
[M+Na-2H]- 933.41987 308.5
[M]+ 912.44465 336.4
[M]- 912.44575 336.4
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.