CID 46366

64011-98-9

Structural Information

Molecular Formula
C18H10Cl6O4
SMILES
C1CC(C1C(=O)OC2=CC(=C(C=C2Cl)Cl)Cl)C(=O)OC3=CC(=C(C=C3Cl)Cl)Cl
InChI
InChI=1S/C18H10Cl6O4/c19-9-3-13(23)15(5-11(9)21)27-17(25)7-1-2-8(7)18(26)28-16-6-12(22)10(20)4-14(16)24/h3-8H,1-2H2
InChIKey
UGCKKVQVFGJJOD-UHFFFAOYSA-N
Compound name
bis(2,4,5-trichlorophenyl) cyclobutane-1,2-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

499.87103 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 500.87831 183.1
[M+Na]+ 522.86025 191.4
[M-H]- 498.86375 184.5
[M+NH4]+ 517.90485 186.2
[M+K]+ 538.83419 189.6
[M+H-H2O]+ 482.86829 175.4
[M+HCOO]- 544.86923 174.2
[M+CH3COO]- 558.88488 234.9
[M+Na-2H]- 520.84570 177.4
[M]+ 499.87048 192.5
[M]- 499.87158 192.5
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.