CID 44146127

83833-23-2

Structural Information

Molecular Formula
C56H112O4S2Sn
SMILES
CCCCCCCCCCCCCCOC(=O)CS[Sn](CCCCCCCCCCCC)(CCCCCCCCCCCC)SCC(=O)OCCCCCCCCCCCCCC
InChI
InChI=1S/2C16H32O2S.2C12H25.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-16(17)15-19;2*1-3-5-7-9-11-12-10-8-6-4-2;/h2*19H,2-15H2,1H3;2*1,3-12H2,2H3;/q;;;;+2/p-2
InChIKey
SHFPDFWVAJUICV-UHFFFAOYSA-L
Compound name
tetradecyl 2-[didodecyl-(2-oxo-2-tetradecoxyethyl)sulfanylstannyl]sulfanylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

1032.7024 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1033.7097 364.0
[M+Na]+ 1055.6916 361.8
[M-H]- 1031.6951 336.1
[M+NH4]+ 1050.7362 365.4
[M+K]+ 1071.6656 375.1
[M+H-H2O]+ 1015.6997 359.1
[M+HCOO]- 1077.7006 359.5
[M+CH3COO]- 1091.7163 323.7
[M+Na-2H]- 1053.6771 334.5
[M]+ 1032.7019 365.7
[M]- 1032.7029 365.7
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.