CID 5388549

2-chlorochalcone

Structural Information

Molecular Formula

C₁₅H₁₁ClO

SMILES

C1=CC=C(C=C1)C(=O)/C=C/C2=CC=CC=C2Cl

InChI

InChI=1S/C15H11ClO/c16-14-9-5-4-6-12(14)10-11-15(17)13-7-2-1-3-8-13/h1-11H/b11-10+

InChIKey

IGSYOTSSTZUGIA-ZHACJKMWSA-N

Compound name

(E)-3-(2-chlorophenyl)-1-phenylprop-2-en-1-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 23
Patents: 242.04984 Da
Monoisotopic Mass: 4.4
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]+	243.05712	153.0
[M+Na]+	265.03906	169.3
[M+NH4]+	260.08366	162.6
[M+K]+	281.01300	159.7
[M-H]-	241.04256	158.0
[M+Na-2H]-	263.02451	163.4
[M]+	242.04929	157.2
[M]-	242.05039	157.2

Literature stripe

literature stripe

Patent stripe

patents stripe