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]+ 341.03420 170.2
[M+Na]+ 363.01614 180.6
[M-H]- 339.01964 177.0
[M+NH4]+ 358.06074 185.6
[M+K]+ 378.99008 175.7
[M+H-H2O]+ 323.02418 164.3
[M+HCOO]- 385.02512 184.4
[M+CH3COO]- 399.04077 208.1
[M+Na-2H]- 361.00159 172.3
[M]+ 340.02637 179.5
[M]- 340.02747 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.