CID 10632983

29001-15-8

Structural Information

Molecular Formula

C₁₄H₁₀O₃

SMILES

C1=CC=C(C=C1)C2C3=C(C=CC(=C3)O)OC2=O

InChI

InChI=1S/C14H10O3/c15-10-6-7-12-11(8-10)13(14(16)17-12)9-4-2-1-3-5-9/h1-8,13,15H

InChIKey

BRWDHRZYOYDXTG-UHFFFAOYSA-N

Compound name

5-hydroxy-3-phenyl-3H-1-benzofuran-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 119
Patents: 226.06299 Da
Monoisotopic Mass: 2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	227.070266	145.9
[M+Na]+	249.052208	155.6
[M-H]-	225.055714	153.8
[M+NH4]+	244.096813	165.1
[M+K]+	265.026148	152.5
[M+H-H2O]+	209.060250	140.1
[M+HCOO]-	271.061191	168.0
[M+CH3COO]-	285.076841	159.9
[M+Na-2H]-	247.037656	151.8
[M]+	226.06244142	146.8
[M]-	226.06353858	146.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe