CID 283744

4361-96-0

Structural Information

Molecular Formula

C₁₇H₁₂O₂

SMILES

C1=CC=C(C=C1)C=C2C=C(OC2=O)C3=CC=CC=C3

InChI

InChI=1S/C17H12O2/c18-17-15(11-13-7-3-1-4-8-13)12-16(19-17)14-9-5-2-6-10-14/h1-12H

InChIKey

LISLDGCWYOIVSJ-UHFFFAOYSA-N

Compound name

3-benzylidene-5-phenylfuran-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 3
Patents: 248.08372 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]+	249.09100	154.8
[M+Na]+	271.07294	163.1
[M-H]-	247.07644	165.5
[M+NH4]+	266.11754	172.1
[M+K]+	287.04688	159.1
[M+H-H2O]+	231.08098	147.5
[M+HCOO]-	293.08192	178.9
[M+CH3COO]-	307.09757	168.2
[M+Na-2H]-	269.05839	159.3
[M]+	248.08317	154.4
[M]-	248.08427	154.4

Literature stripe

literature stripe

Patent stripe

patents stripe