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]+ 269.08083 157.1
[M+Na]+ 291.06277 167.3
[M-H]- 267.06627 165.4
[M+NH4]+ 286.10737 174.5
[M+K]+ 307.03671 164.7
[M+H-H2O]+ 251.07081 150.7
[M+HCOO]- 313.07175 180.4
[M+CH3COO]- 327.08740 194.7
[M+Na-2H]- 289.04822 162.6
[M]+ 268.07300 162.3
[M]- 268.07410 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