CID 5354164

717-21-5

Structural Information

Molecular Formula

C₁₃H₁₀O₂

SMILES

C1=CC=C(C=C1)C(=O)/C=C/C2=CC=CO2

InChI

InChI=1S/C13H10O2/c14-13(11-5-2-1-3-6-11)9-8-12-7-4-10-15-12/h1-10H/b9-8+

InChIKey

BVAGSGSYUAOFPJ-CMDGGOBGSA-N

Compound name

(E)-3-(furan-2-yl)-1-phenylprop-2-en-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 49
Patents: 198.06808 Da
Monoisotopic Mass: 3.0
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]+	199.07536	143.2
[M+Na]+	221.05730	156.6
[M+NH4]+	216.10190	151.9
[M+K]+	237.03124	151.3
[M-H]-	197.06080	148.1
[M+Na-2H]-	219.04275	151.3
[M]+	198.06753	146.5
[M]-	198.06863	146.5

Literature stripe

literature stripe

Patent stripe

patents stripe