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 187.4
[M+Na]+ 433.04659 191.0
[M-H]- 409.05009 187.7
[M+NH4]+ 428.09119 198.7
[M+K]+ 449.02053 191.1
[M+H-H2O]+ 393.05463 184.2
[M+HCOO]- 455.05557 197.3
[M+CH3COO]- 469.07122 201.0
[M+Na-2H]- 431.03204 185.9
[M]+ 410.05682 188.2
[M]- 410.05792 188.2
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