CID 16682791

Dioctyltin-3,3'-thiodipropionate

Structural Information

Molecular Formula
C22H42O4SSn
SMILES
CCCCCCCC[Sn]1(OC(=O)CCSCCC(=O)O1)CCCCCCCC
InChI
InChI=1S/2C8H17.C6H10O4S.Sn/c2*1-3-5-7-8-6-4-2;7-5(8)1-3-11-4-2-6(9)10;/h2*1,3-8H2,2H3;1-4H2,(H,7,8)(H,9,10);/q;;;+2/p-2
InChIKey
AVOZSWKVGOLVKD-UHFFFAOYSA-L
Compound name
2,2-dioctyl-1,3,7,2-dioxathiastannecane-4,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

522.18256 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 523.18984 221.1
[M+Na]+ 545.17178 221.3
[M-H]- 521.17528 219.8
[M+NH4]+ 540.21638 227.9
[M+K]+ 561.14572 219.5
[M+H-H2O]+ 505.17982 216.5
[M+HCOO]- 567.18076 228.4
[M+CH3COO]- 581.19641 224.5
[M+Na-2H]- 543.15723 215.9
[M]+ 522.18201 224.7
[M]- 522.18311 224.7
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

patents stripe