CID 344659

2-hydroxy-1-(4-phenylphenyl)ethan-1-one

Structural Information

Molecular Formula

C₁₄H₁₂O₂

SMILES

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

InChI

InChI=1S/C14H12O2/c15-10-14(16)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9,15H,10H2

InChIKey

DZBOGXUSEQLVPU-UHFFFAOYSA-N

Compound name

2-hydroxy-1-(4-phenylphenyl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 28
Patents: 212.08372 Da
Monoisotopic Mass: 3.1
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]+	213.09100	145.6
[M+Na]+	235.07294	152.7
[M-H]-	211.07644	151.1
[M+NH4]+	230.11754	163.3
[M+K]+	251.04688	148.9
[M+H-H2O]+	195.08098	138.8
[M+HCOO]-	257.08192	168.2
[M+CH3COO]-	271.09757	184.7
[M+Na-2H]-	233.05839	151.4
[M]+	212.08317	144.8
[M]-	212.08427	144.8

Literature stripe

literature stripe

Patent stripe

patents stripe