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
1
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 288.0
[M+Na]+ 905.07125 295.8
[M+NH4]+ 900.11585 264.5
[M+K]+ 921.04519 285.0
[M-H]- 881.07475 285.2
[M+Na-2H]- 903.05670 284.0
[M]+ 882.08148 289.3
[M]- 882.08258 289.3
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