CID 16684077

31430-86-1

Structural Information

Molecular Formula
C32H54Cl4O4Sn2
SMILES
CCCC[Sn](CCCC)(CCCC)OC(=O)C1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)C(=O)O[Sn](CCCC)(CCCC)CCCC
InChI
InChI=1S/C8H2Cl4O4.6C4H9.2Sn/c9-3-1(7(13)14)2(8(15)16)4(10)6(12)5(3)11;6*1-3-4-2;;/h(H,13,14)(H,15,16);6*1,3-4H2,2H3;;/q;;;;;;;2*+1/p-2
InChIKey
BQHRYDKHQXDUBU-UHFFFAOYSA-L
Compound name
bis(tributylstannyl) 3,4,5,6-tetrachlorobenzene-1,2-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

882.08203 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 883.089306 293.5
[M+Na]+ 905.071248 295.0
[M-H]- 881.074754 278.7
[M+NH4]+ 900.115853 291.3
[M+K]+ 921.045188 285.8
[M+H-H2O]+ 865.079290 286.2
[M+HCOO]- 927.080231 296.1
[M+CH3COO]- 941.095881 276.3
[M+Na-2H]- 903.056696 279.8
[M]+ 882.08148142 308.2
[M]- 882.08257858 308.2
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