CID 9576708

Einecs 275-075-8

Structural Information

Molecular Formula
C26H48O8S2Sn
SMILES
CCCC[Sn](CCCC)(SCCOC(=O)CCCCC(=O)OC)SCCOC(=O)CCCCC(=O)OC
InChI
InChI=1S/2C9H16O4S.2C4H9.Sn/c2*1-12-8(10)4-2-3-5-9(11)13-6-7-14;2*1-3-4-2;/h2*14H,2-7H2,1H3;2*1,3-4H2,2H3;/q;;;;+2/p-2
InChIKey
TWUWIQQYZCANIJ-UHFFFAOYSA-L
Compound name
6-O-[2-[dibutyl-[2-(6-methoxy-6-oxohexanoyl)oxyethylsulfanyl]stannyl]sulfanylethyl] 1-O-methyl hexanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

672.1813 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 673.18858 272.6
[M+Na]+ 695.17052 275.4
[M-H]- 671.17402 262.7
[M+NH4]+ 690.21512 281.1
[M+K]+ 711.14446 276.7
[M+H-H2O]+ 655.17856 272.7
[M+HCOO]- 717.17950 276.1
[M+CH3COO]- 731.19515 252.2
[M+Na-2H]- 693.15597 255.7
[M]+ 672.18075 275.0
[M]- 672.18185 275.0
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.