CID 3059738

77143-67-0

Structural Information

Molecular Formula
C16H12O4
SMILES
C1=CC=C(C=C1)C2C3=C(C=CC(=C3)CC(=O)O)OC2=O
InChI
InChI=1S/C16H12O4/c17-14(18)9-10-6-7-13-12(8-10)15(16(19)20-13)11-4-2-1-3-5-11/h1-8,15H,9H2,(H,17,18)
InChIKey
WOFXIHMHNYXRSI-UHFFFAOYSA-N
Compound name
2-(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

268.07355 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.08083 158.3
[M+Na]+ 291.06277 171.7
[M+NH4]+ 286.10737 166.2
[M+K]+ 307.03671 167.5
[M-H]- 267.06627 162.8
[M+Na-2H]- 289.04822 164.1
[M]+ 268.07300 161.4
[M]- 268.07410 161.4
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