CID 639084

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

Structural Information

Molecular Formula

C₁₅H₁₁ClO

SMILES

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

InChI

InChI=1S/C15H11ClO/c16-14-8-4-7-13(11-14)15(17)10-9-12-5-2-1-3-6-12/h1-11H/b10-9+

InChIKey

CTOPNSVRZAUZGA-MDZDMXLPSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 24
Patents: 242.04984 Da
Monoisotopic Mass: 3.7
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