CID 3023351

94023-74-2

Structural Information

Molecular Formula
C18H15Cl3O6
SMILES
COC(=O)C1=CC(=C(C=C1)OCCOC2=C(C=C(C=C2Cl)C(=O)OC)Cl)Cl
InChI
InChI=1S/C18H15Cl3O6/c1-24-17(22)10-3-4-15(12(19)7-10)26-5-6-27-16-13(20)8-11(9-14(16)21)18(23)25-2/h3-4,7-9H,5-6H2,1-2H3
InChIKey
ZYKQVJATDNUGMP-UHFFFAOYSA-N
Compound name
methyl 3,5-dichloro-4-[2-(2-chloro-4-methoxycarbonylphenoxy)ethoxy]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

431.9934 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.00068 185.0
[M+Na]+ 454.98262 195.1
[M-H]- 430.98612 191.0
[M+NH4]+ 450.02722 197.0
[M+K]+ 470.95656 190.8
[M+H-H2O]+ 414.99066 179.8
[M+HCOO]- 476.99160 193.1
[M+CH3COO]- 491.00725 223.1
[M+Na-2H]- 452.96807 184.1
[M]+ 431.99285 197.3
[M]- 431.99395 197.3
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.