CID 24101777

2,4-dichlorobenzyl 3,5-dimethoxybenzoate

Structural Information

Molecular Formula
C16H14Cl2O4
SMILES
COC1=CC(=CC(=C1)C(=O)OCC2=C(C=C(C=C2)Cl)Cl)OC
InChI
InChI=1S/C16H14Cl2O4/c1-20-13-5-11(6-14(8-13)21-2)16(19)22-9-10-3-4-12(17)7-15(10)18/h3-8H,9H2,1-2H3
InChIKey
LVYDNXVQPHHRTD-UHFFFAOYSA-N
Compound name
(2,4-dichlorophenyl)methyl 3,5-dimethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.02692 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.034196 170.2
[M+Na]+ 363.016138 180.6
[M-H]- 339.019644 177.0
[M+NH4]+ 358.060743 185.6
[M+K]+ 378.990078 175.7
[M+H-H2O]+ 323.024180 164.3
[M+HCOO]- 385.025121 184.4
[M+CH3COO]- 399.040771 208.1
[M+Na-2H]- 361.001586 172.3
[M]+ 340.02637142 179.5
[M]- 340.02746858 179.5
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.