CID 244229

4,4-difluorochalcone

Structural Information

Molecular Formula

C₁₅H₁₀F₂O

SMILES

C1=CC(=CC=C1C=CC(=O)C2=CC=C(C=C2)F)F

InChI

InChI=1S/C15H10F2O/c16-13-6-1-11(2-7-13)3-10-15(18)12-4-8-14(17)9-5-12/h1-10H

InChIKey

AZBVDMNDUOURGI-UHFFFAOYSA-N

Compound name

1,3-bis(4-fluorophenyl)prop-2-en-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 24
References: 47
Patents: 244.06998 Da
Monoisotopic Mass: 3.3
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]+	245.07726	156.4
[M+Na]+	267.05920	169.8
[M+NH4]+	262.10380	163.8
[M+K]+	283.03314	161.5
[M-H]-	243.06270	158.1
[M+Na-2H]-	265.04465	164.3
[M]+	244.06943	158.7
[M]-	244.07053	158.7

Literature stripe

literature stripe

Patent stripe

patents stripe