CID 9948

Deoxybenzoin

Structural Information

Molecular Formula

C₁₄H₁₂O

SMILES

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

InChI

InChI=1S/C14H12O/c15-14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-10H,11H2

InChIKey

OTKCEEWUXHVZQI-UHFFFAOYSA-N

Compound name

1,2-diphenylethanone

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 79
References: 9329
Patents: 196.08882 Da
Monoisotopic Mass: 3.2
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]+	197.09610	143.5
[M+Na]+	219.07804	158.8
[M+NH4]+	214.12264	153.3
[M+K]+	235.05198	150.2
[M-H]-	195.08154	148.8
[M+Na-2H]-	217.06349	154.5
[M]+	196.08827	147.4
[M]-	196.08937	147.4

Literature stripe

literature stripe

Patent stripe

patents stripe