CID 13752554

59074-25-8

Structural Information

Molecular Formula

C₁₅H₁₁ClO

SMILES

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

InChI

InChI=1S/C15H11ClO/c1-11(12-5-3-2-4-6-12)15(17)13-7-9-14(16)10-8-13/h2-10H,1H2

InChIKey

XBBCDQHSQJHEMJ-UHFFFAOYSA-N

Compound name

1-(4-chlorophenyl)-2-phenylprop-2-en-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 81
Patents: 242.04984 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]+	243.05712	152.6
[M+Na]+	265.03906	168.6
[M+NH4]+	260.08366	162.1
[M+K]+	281.01300	159.8
[M-H]-	241.04256	157.5
[M+Na-2H]-	263.02451	162.7
[M]+	242.04929	156.7
[M]-	242.05039	156.7

Literature stripe

literature stripe

Patent stripe

patents stripe