CID 3022027

92832-37-6

Structural Information

Molecular Formula
C18H17ClO6
SMILES
COC(=O)C1=CC=C(C=C1)OCCOC2=C(C=C(C=C2)C(=O)OC)Cl
InChI
InChI=1S/C18H17ClO6/c1-22-17(20)12-3-6-14(7-4-12)24-9-10-25-16-8-5-13(11-15(16)19)18(21)23-2/h3-8,11H,9-10H2,1-2H3
InChIKey
RBTPNQHMKIAYMR-UHFFFAOYSA-N
Compound name
methyl 3-chloro-4-[2-(4-methoxycarbonylphenoxy)ethoxy]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.07138 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.078656 178.7
[M+Na]+ 387.060598 186.6
[M-H]- 363.064104 185.7
[M+NH4]+ 382.105203 192.0
[M+K]+ 403.034538 183.9
[M+H-H2O]+ 347.068640 171.2
[M+HCOO]- 409.069581 196.9
[M+CH3COO]- 423.085231 212.3
[M+Na-2H]- 385.046046 180.2
[M]+ 364.07083142 188.6
[M]- 364.07192858 188.6
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.