CID 4608141

2,4,6-trichlorobenzyl 2,4-dichlorobenzoate

Structural Information

Molecular Formula
C14H7Cl5O2
SMILES
C1=CC(=C(C=C1Cl)Cl)C(=O)OCC2=C(C=C(C=C2Cl)Cl)Cl
InChI
InChI=1S/C14H7Cl5O2/c15-7-1-2-9(11(17)3-7)14(20)21-6-10-12(18)4-8(16)5-13(10)19/h1-5H,6H2
InChIKey
DKLGNOVUCLIDFA-UHFFFAOYSA-N
Compound name
(2,4,6-trichlorophenyl)methyl 2,4-dichlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.88885 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.89613 182.3
[M+Na]+ 404.87807 198.3
[M+NH4]+ 399.92267 190.0
[M+K]+ 420.85201 188.5
[M-H]- 380.88157 184.8
[M+Na-2H]- 402.86352 188.8
[M]+ 381.88830 186.7
[M]- 381.88940 186.7
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.