CID 16684481

Dtxsid501141741

Structural Information

Molecular Formula
C58H110O8Sn4
SMILES
CCCC[Sn](CCCC)(CCCC)OC(=O)C1=CC(=C(C=C1C(=O)O[Sn](CCCC)(CCCC)CCCC)C(=O)O[Sn](CCCC)(CCCC)CCCC)C(=O)O[Sn](CCCC)(CCCC)CCCC
InChI
InChI=1S/C10H6O8.12C4H9.4Sn/c11-7(12)3-1-4(8(13)14)6(10(17)18)2-5(3)9(15)16;12*1-3-4-2;;;;/h1-2H,(H,11,12)(H,13,14)(H,15,16)(H,17,18);12*1,3-4H2,2H3;;;;/q;;;;;;;;;;;;;4*+1/p-4
InChIKey
CFXXZQZTLQFLOV-UHFFFAOYSA-J
Compound name
tetrakis(tributylstannyl) benzene-1,2,4,5-tetracarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

1414.4288 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1415.4361 378.3
[M+Na]+ 1437.4180 382.7
[M-H]- 1413.4215 373.8
[M+NH4]+ 1432.4626 396.5
[M+K]+ 1453.3920 397.8
[M+H-H2O]+ 1397.4261 372.2
[M+HCOO]- 1459.4270 380.1
[M+CH3COO]- 1473.4427 347.2
[M+Na-2H]- 1435.4035 352.2
[M]+ 1414.4283 379.2
[M]- 1414.4293 379.2
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

No patent data available for this compound.