CID 5702577

4'-fluorochalcone

Structural Information

Molecular Formula

C₁₅H₁₁FO

SMILES

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

InChI

InChI=1S/C15H11FO/c16-14-9-7-13(8-10-14)15(17)11-6-12-4-2-1-3-5-12/h1-11H/b11-6+

InChIKey

VKNQSJQWRINEFS-IZZDOVSWSA-N

Compound name

(E)-1-(4-fluorophenyl)-3-phenylprop-2-en-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 76
Patents: 226.07939 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]+	227.08667	151.6
[M+Na]+	249.06861	166.1
[M+NH4]+	244.11321	160.1
[M+K]+	265.04255	157.4
[M-H]-	225.07211	155.0
[M+Na-2H]-	247.05406	161.0
[M]+	226.07884	154.7
[M]-	226.07994	154.7

Literature stripe

literature stripe

Patent stripe

patents stripe