CID 659898

4-methoxyphenyl 1-benzofuran-2-carboxylate

Structural Information

Molecular Formula
C16H12O4
SMILES
COC1=CC=C(C=C1)OC(=O)C2=CC3=CC=CC=C3O2
InChI
InChI=1S/C16H12O4/c1-18-12-6-8-13(9-7-12)19-16(17)15-10-11-4-2-3-5-14(11)20-15/h2-10H,1H3
InChIKey
IYFYVRZWHQFEKZ-UHFFFAOYSA-N
Compound name
(4-methoxyphenyl) 1-benzofuran-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

0
Patents

268.07355 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.080826 157.2
[M+Na]+ 291.062768 167.1
[M-H]- 267.066274 166.6
[M+NH4]+ 286.107373 175.2
[M+K]+ 307.036708 165.3
[M+H-H2O]+ 251.070810 150.4
[M+HCOO]- 313.071751 182.1
[M+CH3COO]- 327.087401 195.3
[M+Na-2H]- 289.048216 163.8
[M]+ 268.07300142 163.7
[M]- 268.07409858 163.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.