CID 111793

Einecs 273-006-6

Structural Information

Molecular Formula
C49H96O6S3Sn
SMILES
CCCCCCCCCCCCCC(=O)OCCS[Sn](C)(SCCOC(=O)CCCCCCCCCCCCC)SCCOC(=O)CCCCCCCCCCCCC
InChI
InChI=1S/3C16H32O2S.CH3.Sn/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-16(17)18-14-15-19;;/h3*19H,2-15H2,1H3;1H3;/q;;;;+3/p-3
InChIKey
XPLRHMJDCOKZLS-UHFFFAOYSA-K
Compound name
2-[methyl-bis(2-tetradecanoyloxyethylsulfanyl)stannyl]sulfanylethyl tetradecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

996.5391 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 997.54638 352.1
[M+Na]+ 1019.5283 348.9
[M-H]- 995.53182 327.5
[M+NH4]+ 1014.5729 355.6
[M+K]+ 1035.5023 360.3
[M+H-H2O]+ 979.53636 348.4
[M+HCOO]- 1041.5373 347.1
[M+CH3COO]- 1055.5530 309.4
[M+Na-2H]- 1017.5138 324.8
[M]+ 996.53855 355.2
[M]- 996.53965 355.2
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.