CID 106029

Einecs 267-641-8

Structural Information

Molecular Formula
C19H36O6S3Sn
SMILES
CCCC[Sn](SCCOC(=O)CC)(SCCOC(=O)CC)SCCOC(=O)CC
InChI
InChI=1S/3C5H10O2S.C4H9.Sn/c3*1-2-5(6)7-3-4-8;1-3-4-2;/h3*8H,2-4H2,1H3;1,3-4H2,2H3;/q;;;;+3/p-3
InChIKey
RUCNLZXIXRXWCC-UHFFFAOYSA-K
Compound name
2-[butyl-bis(2-propanoyloxyethylsulfanyl)stannyl]sulfanylethyl propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

576.0696 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 577.07688 230.6
[M+Na]+ 599.05882 228.8
[M-H]- 575.06232 225.7
[M+NH4]+ 594.10342 255.4
[M+K]+ 615.03276 222.6
[M+H-H2O]+ 559.06686 221.2
[M+HCOO]- 621.06780 257.5
[M+CH3COO]- 635.08345 233.8
[M+Na-2H]- 597.04427 223.1
[M]+ 576.06905 241.6
[M]- 576.07015 241.6
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

patents stripe