CID 3399342

2,4-dichlorobenzyl 4-ethoxybenzoate

Structural Information

Molecular Formula
C16H14Cl2O3
SMILES
CCOC1=CC=C(C=C1)C(=O)OCC2=C(C=C(C=C2)Cl)Cl
InChI
InChI=1S/C16H14Cl2O3/c1-2-20-14-7-4-11(5-8-14)16(19)21-10-12-3-6-13(17)9-15(12)18/h3-9H,2,10H2,1H3
InChIKey
JEMJGNPGJJRDRN-UHFFFAOYSA-N
Compound name
(2,4-dichlorophenyl)methyl 4-ethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.032 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.03928 169.3
[M+Na]+ 347.02122 185.6
[M+NH4]+ 342.06582 177.9
[M+K]+ 362.99516 176.6
[M-H]- 323.02472 173.4
[M+Na-2H]- 345.00667 178.0
[M]+ 324.03145 173.6
[M]- 324.03255 173.6
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.