CID 4308275

2,4,6-trichlorobenzyl 4-chlorobenzoate

Structural Information

Molecular Formula
C14H8Cl4O2
SMILES
C1=CC(=CC=C1C(=O)OCC2=C(C=C(C=C2Cl)Cl)Cl)Cl
InChI
InChI=1S/C14H8Cl4O2/c15-9-3-1-8(2-4-9)14(19)20-7-11-12(17)5-10(16)6-13(11)18/h1-6H,7H2
InChIKey
RHRILAPYJIHJHJ-UHFFFAOYSA-N
Compound name
(2,4,6-trichlorophenyl)methyl 4-chlorobenzoate
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]+ 348.93511 167.5
[M+Na]+ 370.91705 178.2
[M-H]- 346.92055 171.1
[M+NH4]+ 365.96165 182.2
[M+K]+ 386.89099 171.6
[M+H-H2O]+ 330.92509 163.3
[M+HCOO]- 392.92603 170.7
[M+CH3COO]- 406.94168 208.5
[M+Na-2H]- 368.90250 168.0
[M]+ 347.92728 172.5
[M]- 347.92838 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.