CID 16683955

Tributyltin phthalate

Structural Information

Molecular Formula
C32H58O4Sn2
SMILES
CCCC[Sn](CCCC)(CCCC)OC(=O)C1=CC=CC=C1C(=O)O[Sn](CCCC)(CCCC)CCCC
InChI
InChI=1S/C8H6O4.6C4H9.2Sn/c9-7(10)5-3-1-2-4-6(5)8(11)12;6*1-3-4-2;;/h1-4H,(H,9,10)(H,11,12);6*1,3-4H2,2H3;;/q;;;;;;;2*+1/p-2
InChIKey
MCUIEDCAVHLHPG-UHFFFAOYSA-L
Compound name
bis(tributylstannyl) benzene-1,2-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

100
Patents

746.2379 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 747.24518 266.5
[M+Na]+ 769.22712 275.5
[M-H]- 745.23062 258.5
[M+NH4]+ 764.27172 273.4
[M+K]+ 785.20106 277.8
[M+H-H2O]+ 729.23516 275.6
[M+HCOO]- 791.23610 280.6
[M+CH3COO]- 805.25175 261.4
[M+Na-2H]- 767.21257 276.9
[M]+ 746.23735 265.3
[M]- 746.23845 265.3
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

No patent data available for this compound.