CID 9576098

57057-50-8

Structural Information

Molecular Formula
C24H48O4S2Sn
SMILES
CCCCC(CC)COC(=O)CCS[Sn](C)(C)SCCC(=O)OCC(CC)CCCC
InChI
InChI=1S/2C11H22O2S.2CH3.Sn/c2*1-3-5-6-10(4-2)9-13-11(12)7-8-14;;;/h2*10,14H,3-9H2,1-2H3;2*1H3;/q;;;;+2/p-2
InChIKey
OSJAAYAWZBUHDN-UHFFFAOYSA-L
Compound name
2-ethylhexyl 3-[[3-(2-ethylhexoxy)-3-oxopropyl]sulfanyl-dimethylstannyl]sulfanylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

584.2016 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 585.20888 236.2
[M+Na]+ 607.19082 238.2
[M+NH4]+ 602.23542 248.9
[M+K]+ 623.16476 244.3
[M-H]- 583.19432 231.9
[M+Na-2H]- 605.17627 231.0
[M]+ 584.20105 235.8
[M]- 584.20215 235.8
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