CID 9576702

Einecs 275-041-2

Structural Information

Molecular Formula
C24H44O8S2Sn
SMILES
CCCC[Sn](CCCC)(SCCOC(=O)CCCC(=O)OC)SCCOC(=O)CCCC(=O)OC
InChI
InChI=1S/2C8H14O4S.2C4H9.Sn/c2*1-11-7(9)3-2-4-8(10)12-5-6-13;2*1-3-4-2;/h2*13H,2-6H2,1H3;2*1,3-4H2,2H3;/q;;;;+2/p-2
InChIKey
DDOSXFUHHQGQCG-UHFFFAOYSA-L
Compound name
5-O-[2-[dibutyl-[2-(5-methoxy-5-oxopentanoyl)oxyethylsulfanyl]stannyl]sulfanylethyl] 1-O-methyl pentanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

644.14996 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 645.15724 265.4
[M+Na]+ 667.13918 268.6
[M-H]- 643.14268 256.2
[M+NH4]+ 662.18378 273.9
[M+K]+ 683.11312 269.0
[M+H-H2O]+ 627.14722 265.7
[M+HCOO]- 689.14816 269.7
[M+CH3COO]- 703.16381 246.8
[M+Na-2H]- 665.12463 249.4
[M]+ 644.14941 267.9
[M]- 644.15051 267.9
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.