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

95
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

literature stripe

Patent stripe

patents stripe