CID 4650653

4'-(phenylazo)acetophenone

Structural Information

Molecular Formula

C₁₄H₁₂N₂O

SMILES

CC(=O)C1=CC=C(C=C1)N=NC2=CC=CC=C2

InChI

InChI=1S/C14H12N2O/c1-11(17)12-7-9-14(10-8-12)16-15-13-5-3-2-4-6-13/h2-10H,1H3

InChIKey

UYXKSJRBCLSBNE-UHFFFAOYSA-N

Compound name

1-(4-phenyldiazenylphenyl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 167
Patents: 224.09496 Da
Monoisotopic Mass: 3.8
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]+	225.10224	148.6
[M+Na]+	247.08418	155.6
[M-H]-	223.08768	158.1
[M+NH4]+	242.12878	167.2
[M+K]+	263.05812	153.2
[M+H-H2O]+	207.09222	140.2
[M+HCOO]-	269.09316	177.7
[M+CH3COO]-	283.10881	198.6
[M+Na-2H]-	245.06963	156.4
[M]+	224.09441	149.7
[M]-	224.09551	149.7

Literature stripe

literature stripe

Patent stripe

patents stripe