CID 5383898

2-chloro-4'-fluorochalcone

Structural Information

Molecular Formula

C₁₅H₁₀ClFO

SMILES

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

InChI

InChI=1S/C15H10ClFO/c16-14-4-2-1-3-11(14)7-10-15(18)12-5-8-13(17)9-6-12/h1-10H/b10-7+

InChIKey

VXYSLQXVRKLSBO-JXMROGBWSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 260.04044 Da
Monoisotopic Mass: 4.5
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]+	261.04772	154.1
[M+Na]+	283.02966	163.5
[M-H]-	259.03316	159.6
[M+NH4]+	278.07426	171.7
[M+K]+	299.00360	156.8
[M+H-H2O]+	243.03770	146.9
[M+HCOO]-	305.03864	172.2
[M+CH3COO]-	319.05429	194.3
[M+Na-2H]-	281.01511	158.0
[M]+	260.03989	154.9
[M]-	260.04099	154.9

Literature stripe

literature stripe

Patent stripe

patents stripe