CID 95808

6272-40-8

Structural Information

Molecular Formula

C₁₅H₁₀O₂

SMILES

C1=CC=C(C=C1)C(=O)C2=CC3=CC=CC=C3O2

InChI

InChI=1S/C15H10O2/c16-15(11-6-2-1-3-7-11)14-10-12-8-4-5-9-13(12)17-14/h1-10H

InChIKey

DZRJNLPOTUVETG-UHFFFAOYSA-N

Compound name

1-benzofuran-2-yl(phenyl)methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 10
References: 172
Patents: 222.06808 Da
Monoisotopic Mass: 4.0
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]+	223.07536	146.0
[M+Na]+	245.05730	162.2
[M+NH4]+	240.10190	156.0
[M+K]+	261.03124	156.1
[M-H]-	221.06080	152.5
[M+Na-2H]-	243.04275	155.9
[M]+	222.06753	150.4
[M]-	222.06863	150.4

Literature stripe

literature stripe

Patent stripe

patents stripe