CID 16682769

Dibutyltin 3,3'-thiodipropionate

Structural Information

Molecular Formula
C14H26O4SSn
SMILES
CCCC[Sn]1(OC(=O)CCSCCC(=O)O1)CCCC
InChI
InChI=1S/C6H10O4S.2C4H9.Sn/c7-5(8)1-3-11-4-2-6(9)10;2*1-3-4-2;/h1-4H2,(H,7,8)(H,9,10);2*1,3-4H2,2H3;/q;;;+2/p-2
InChIKey
IJQTVZYMPBLNGO-UHFFFAOYSA-L
Compound name
2,2-dibutyl-1,3,7,2-dioxathiastannecane-4,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

410.05737 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.06465 185.4
[M+Na]+ 433.04659 193.4
[M+NH4]+ 428.09119 191.9
[M+K]+ 449.02053 183.5
[M-H]- 409.05009 188.2
[M+Na-2H]- 431.03204 186.8
[M]+ 410.05682 187.5
[M]- 410.05792 187.5
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