CID 16683062

Brn 4078699

Structural Information

Molecular Formula
C28H40Cl6O3Sn2
SMILES
CCCC[Sn](CCCC)(OC1=CC(=C(C=C1Cl)Cl)Cl)O[Sn](CCCC)(CCCC)OC2=CC(=C(C=C2Cl)Cl)Cl
InChI
InChI=1S/2C6H3Cl3O.4C4H9.O.2Sn/c2*7-3-1-5(9)6(10)2-4(3)8;4*1-3-4-2;;;/h2*1-2,10H;4*1,3-4H2,2H3;;;/q;;;;;;;2*+1/p-2
InChIKey
YXTCSFKFQSYNGA-UHFFFAOYSA-L
Compound name
dibutyl-[dibutyl-(2,4,5-trichlorophenoxy)stannyl]oxy-(2,4,5-trichlorophenoxy)stannane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

873.9153 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 874.92258 279.6
[M+Na]+ 896.90452 282.2
[M-H]- 872.90802 276.3
[M+NH4]+ 891.94912 280.5
[M+K]+ 912.87846 275.5
[M+H-H2O]+ 856.91256 270.9
[M+HCOO]- 918.91350 263.8
[M+CH3COO]- 932.92915 267.0
[M+Na-2H]- 894.88997 267.5
[M]+ 873.91475 286.8
[M]- 873.91585 286.8
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.