CID 2572219

2,4-dichlorobenzyl 3,4,5-trimethoxybenzoate

Structural Information

Molecular Formula
C17H16Cl2O5
SMILES
COC1=CC(=CC(=C1OC)OC)C(=O)OCC2=C(C=C(C=C2)Cl)Cl
InChI
InChI=1S/C17H16Cl2O5/c1-21-14-6-11(7-15(22-2)16(14)23-3)17(20)24-9-10-4-5-12(18)8-13(10)19/h4-8H,9H2,1-3H3
InChIKey
SRYNPWAFDZOVPK-UHFFFAOYSA-N
Compound name
(2,4-dichlorophenyl)methyl 3,4,5-trimethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.03748 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.04476 176.5
[M+Na]+ 393.02670 187.2
[M-H]- 369.03020 183.6
[M+NH4]+ 388.07130 191.0
[M+K]+ 409.00064 183.0
[M+H-H2O]+ 353.03474 170.5
[M+HCOO]- 415.03568 190.6
[M+CH3COO]- 429.05133 214.3
[M+Na-2H]- 391.01215 177.6
[M]+ 370.03693 188.0
[M]- 370.03803 188.0
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.