CID 12689827

72867-72-2

Structural Information

Molecular Formula

C₁₄H₁₁ClO

SMILES

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

InChI

InChI=1S/C14H11ClO/c15-13-9-5-4-8-12(13)14(16)10-11-6-2-1-3-7-11/h1-9H,10H2

InChIKey

PYTHIEVNGSYRFO-UHFFFAOYSA-N

Compound name

1-(2-chlorophenyl)-2-phenylethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 81
Patents: 230.04984 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]+	231.05712	149.0
[M+Na]+	253.03906	165.6
[M+NH4]+	248.08366	159.1
[M+K]+	269.01300	156.3
[M-H]-	229.04256	154.4
[M+Na-2H]-	251.02451	159.9
[M]+	230.04929	153.5
[M]-	230.05039	153.5

Literature stripe

literature stripe

Patent stripe

patents stripe