CID 160567

Bis(2,4,6-trichlorophenyl) oxalate

Structural Information

Molecular Formula
C14H4Cl6O4
SMILES
C1=C(C=C(C(=C1Cl)OC(=O)C(=O)OC2=C(C=C(C=C2Cl)Cl)Cl)Cl)Cl
InChI
InChI=1S/C14H4Cl6O4/c15-5-1-7(17)11(8(18)2-5)23-13(21)14(22)24-12-9(19)3-6(16)4-10(12)20/h1-4H
InChIKey
GEVPIWPYWJZSPR-UHFFFAOYSA-N
Compound name
bis(2,4,6-trichlorophenyl) oxalate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

34
References

1101
Patents

445.82407 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 446.83135 181.8
[M+Na]+ 468.81329 191.2
[M-H]- 444.81679 181.9
[M+NH4]+ 463.85789 191.5
[M+K]+ 484.78723 187.8
[M+H-H2O]+ 428.82133 179.0
[M+HCOO]- 490.82227 174.2
[M+CH3COO]- 504.83792 223.9
[M+Na-2H]- 466.79874 177.3
[M]+ 445.82352 184.6
[M]- 445.82462 184.6
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.