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

3
Patents

882.08203 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 883.08931 293.5
[M+Na]+ 905.07125 295.0
[M-H]- 881.07475 278.7
[M+NH4]+ 900.11585 291.3
[M+K]+ 921.04519 285.8
[M+H-H2O]+ 865.07929 286.2
[M+HCOO]- 927.08023 296.1
[M+CH3COO]- 941.09588 276.3
[M+Na-2H]- 903.05670 279.8
[M]+ 882.08148 308.2
[M]- 882.08258 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