CID 116942

Einecs 275-036-5

Structural Information

Molecular Formula
C28H48O12S3Sn
SMILES
COC(=O)CCCCC(=O)OCCS[Sn](C)(SCCOC(=O)CCCCC(=O)OC)SCCOC(=O)CCCCC(=O)OC
InChI
InChI=1S/3C9H16O4S.CH3.Sn/c3*1-12-8(10)4-2-3-5-9(11)13-6-7-14;;/h3*14H,2-7H2,1H3;1H3;/q;;;;+3/p-3
InChIKey
FZGACYJTFRRBMX-UHFFFAOYSA-K
Compound name
6-O-[2-[bis[2-(6-methoxy-6-oxohexanoyl)oxyethylsulfanyl]-methylstannyl]sulfanylethyl] 1-O-methyl hexanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

792.133 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 793.14028 281.0
[M+Na]+ 815.12222 288.0
[M+NH4]+ 810.16682 290.0
[M+K]+ 831.09616 282.6
[M-H]- 791.12572 277.3
[M+Na-2H]- 813.10767 283.1
[M]+ 792.13245 282.7
[M]- 792.13355 282.7
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.