CID 16682826

73927-97-6

Structural Information

Molecular Formula
C22H46O2SSn
SMILES
CCCC[Sn](CCCC)(CCCC)OC(=O)CSCC(C)(C)C(C)(C)C
InChI
InChI=1S/C10H20O2S.3C4H9.Sn/c1-9(2,3)10(4,5)7-13-6-8(11)12;3*1-3-4-2;/h6-7H2,1-5H3,(H,11,12);3*1,3-4H2,2H3;/q;;;;+1/p-1
InChIKey
HLDIKSNAOWJKSQ-UHFFFAOYSA-M
Compound name
tributylstannyl 2-(2,2,3,3-tetramethylbutylsulfanyl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

494.22406 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 495.23134 225.2
[M+Na]+ 517.21328 225.6
[M-H]- 493.21678 222.4
[M+NH4]+ 512.25788 234.0
[M+K]+ 533.18722 221.7
[M+H-H2O]+ 477.22132 217.9
[M+HCOO]- 539.22226 244.4
[M+CH3COO]- 553.23791 229.3
[M+Na-2H]- 515.19873 220.4
[M]+ 494.22351 234.8
[M]- 494.22461 234.8
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.