CID 3042729

60312-67-6

Structural Information

Molecular Formula

C₁₄H₁₀O₂

SMILES

C1=CC=C(C=C1)C2C(=O)C3=CC=CC=C3O2

InChI

InChI=1S/C14H10O2/c15-13-11-8-4-5-9-12(11)16-14(13)10-6-2-1-3-7-10/h1-9,14H

InChIKey

WSNJRIHHPNMYBV-UHFFFAOYSA-N

Compound name

2-phenyl-1-benzofuran-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 210.06808 Da
Monoisotopic Mass: 3.2
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]+	211.075356	142.5
[M+Na]+	233.057298	151.8
[M-H]-	209.060804	151.3
[M+NH4]+	228.101903	162.9
[M+K]+	249.031238	149.1
[M+H-H2O]+	193.065340	136.4
[M+HCOO]-	255.066281	165.9
[M+CH3COO]-	269.081931	156.9
[M+Na-2H]-	231.042746	149.4
[M]+	210.06753142	143.3
[M]-	210.06862858	143.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe