CID 236783

4'-phenoxyacetophenone

Structural Information

Molecular Formula

C₁₄H₁₂O₂

SMILES

CC(=O)C1=CC=C(C=C1)OC2=CC=CC=C2

InChI

InChI=1S/C14H12O2/c1-11(15)12-7-9-14(10-8-12)16-13-5-3-2-4-6-13/h2-10H,1H3

InChIKey

DJNIFZYQFLFGDT-UHFFFAOYSA-N

Compound name

1-(4-phenoxyphenyl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2565
Patents: 212.08372 Da
Monoisotopic Mass: 3.4
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]+	213.090996	145.2
[M+Na]+	235.072938	152.7
[M-H]-	211.076444	152.0
[M+NH4]+	230.117543	163.6
[M+K]+	251.046878	149.8
[M+H-H2O]+	195.080980	138.0
[M+HCOO]-	257.081921	169.2
[M+CH3COO]-	271.097571	187.2
[M+Na-2H]-	233.058386	151.4
[M]+	212.08317142	146.2
[M]-	212.08426858	146.2

Literature stripe

literature stripe

Patent stripe

patents stripe