CID 5366988

4-fluorochalcone

Structural Information

Molecular Formula

C₁₅H₁₁FO

SMILES

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

InChI

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

InChIKey

NYSCQZARWVHQBE-DHZHZOJOSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 59
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