CID 24212948

2,4-dichlorobenzyl 2,4-dichlorobenzoate

Structural Information

Molecular Formula
C14H8Cl4O2
SMILES
C1=CC(=C(C=C1Cl)Cl)COC(=O)C2=C(C=C(C=C2)Cl)Cl
InChI
InChI=1S/C14H8Cl4O2/c15-9-2-1-8(12(17)5-9)7-20-14(19)11-4-3-10(16)6-13(11)18/h1-6H,7H2
InChIKey
LPJMPIKURKNPQJ-UHFFFAOYSA-N
Compound name
(2,4-dichlorophenyl)methyl 2,4-dichlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.92783 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.935106 167.5
[M+Na]+ 370.917048 178.2
[M-H]- 346.920554 171.1
[M+NH4]+ 365.961653 182.2
[M+K]+ 386.890988 171.6
[M+H-H2O]+ 330.925090 163.3
[M+HCOO]- 392.926031 170.7
[M+CH3COO]- 406.941681 208.5
[M+Na-2H]- 368.902496 168.0
[M]+ 347.92728142 172.5
[M]- 347.92837858 172.5
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

No patent data available for this compound.