CID 109987

68298-39-5

Structural Information

Molecular Formula
C16H30O6S3Sn
SMILES
CCCC[Sn](SCCOC(=O)C)(SCCOC(=O)C)SCCOC(=O)C
InChI
InChI=1S/3C4H8O2S.C4H9.Sn/c3*1-4(5)6-2-3-7;1-3-4-2;/h3*7H,2-3H2,1H3;1,3-4H2,2H3;/q;;;;+3/p-3
InChIKey
NHDFLDRVKBDAMJ-UHFFFAOYSA-K
Compound name
2-[bis(2-acetyloxyethylsulfanyl)-butylstannyl]sulfanylethyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

534.02264 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 535.02992 219.2
[M+Na]+ 557.01186 218.7
[M-H]- 533.01536 215.0
[M+NH4]+ 552.05646 227.5
[M+K]+ 572.98580 213.1
[M+H-H2O]+ 517.01990 210.3
[M+HCOO]- 579.02084 218.3
[M+CH3COO]- 593.03649 225.7
[M+Na-2H]- 554.99731 212.7
[M]+ 534.02209 229.2
[M]- 534.02319 229.2
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.