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]+ 365.07866 178.7
[M+Na]+ 387.06060 186.6
[M-H]- 363.06410 185.7
[M+NH4]+ 382.10520 192.0
[M+K]+ 403.03454 183.9
[M+H-H2O]+ 347.06864 171.2
[M+HCOO]- 409.06958 196.9
[M+CH3COO]- 423.08523 212.3
[M+Na-2H]- 385.04605 180.2
[M]+ 364.07083 188.6
[M]- 364.07193 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.