CID 21436782

6-methoxy-3-phenyl-1-benzofuran-2-carboxylic acid

Structural Information

Molecular Formula
C16H12O4
SMILES
COC1=CC2=C(C=C1)C(=C(O2)C(=O)O)C3=CC=CC=C3
InChI
InChI=1S/C16H12O4/c1-19-11-7-8-12-13(9-11)20-15(16(17)18)14(12)10-5-3-2-4-6-10/h2-9H,1H3,(H,17,18)
InChIKey
WYPUYIYDYBZQBA-UHFFFAOYSA-N
Compound name
6-methoxy-3-phenyl-1-benzofuran-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

268.07355 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.080826 157.1
[M+Na]+ 291.062768 167.3
[M-H]- 267.066274 165.4
[M+NH4]+ 286.107373 174.5
[M+K]+ 307.036708 164.7
[M+H-H2O]+ 251.070810 150.7
[M+HCOO]- 313.071751 180.4
[M+CH3COO]- 327.087401 194.7
[M+Na-2H]- 289.048216 162.6
[M]+ 268.07300142 162.3
[M]- 268.07409858 162.3
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

patents stripe