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]+ 269.08083 157.2
[M+Na]+ 291.06277 167.1
[M-H]- 267.06627 166.6
[M+NH4]+ 286.10737 175.2
[M+K]+ 307.03671 165.3
[M+H-H2O]+ 251.07081 150.4
[M+HCOO]- 313.07175 182.1
[M+CH3COO]- 327.08740 195.3
[M+Na-2H]- 289.04822 163.8
[M]+ 268.07300 163.7
[M]- 268.07410 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.