CID 3059741

77143-70-5

Structural Information

Molecular Formula
C17H14O4
SMILES
CC(C1=CC2=C(C=C1)OC(=O)C2C3=CC=CC=C3)C(=O)O
InChI
InChI=1S/C17H14O4/c1-10(16(18)19)12-7-8-14-13(9-12)15(17(20)21-14)11-5-3-2-4-6-11/h2-10,15H,1H3,(H,18,19)
InChIKey
JWWACDAAEFUMGA-UHFFFAOYSA-N
Compound name
2-(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.0892 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.09648 162.5
[M+Na]+ 305.07842 175.3
[M+NH4]+ 300.12302 170.1
[M+K]+ 321.05236 171.7
[M-H]- 281.08192 166.7
[M+Na-2H]- 303.06387 167.7
[M]+ 282.08865 165.4
[M]- 282.08975 165.4
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

No patent data available for this compound.