CID 5712176

14385-64-9

Structural Information

Molecular Formula

C₁₃H₉ClO₂

SMILES

C1=COC(=C1)C(=O)/C=C/C2=CC=C(C=C2)Cl

InChI

InChI=1S/C13H9ClO2/c14-11-6-3-10(4-7-11)5-8-12(15)13-2-1-9-16-13/h1-9H/b8-5+

InChIKey

JEWKNWKYSQMIEM-VMPITWQZSA-N

Compound name

(E)-3-(4-chlorophenyl)-1-(furan-2-yl)prop-2-en-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 232.02911 Da
Monoisotopic Mass: 3.7
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]+	233.036386	149.9
[M+Na]+	255.018328	159.1
[M-H]-	231.021834	157.4
[M+NH4]+	250.062933	169.0
[M+K]+	270.992268	155.0
[M+H-H2O]+	215.026370	144.3
[M+HCOO]-	277.027311	169.7
[M+CH3COO]-	291.042961	186.4
[M+Na-2H]-	253.003776	154.3
[M]+	232.02856142	153.3
[M]-	232.02965858	153.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.