CID 789236

1215-98-1

Structural Information

Molecular Formula

C₁₄H₁₃NO₂

SMILES

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

InChI

InChI=1S/C14H13NO2/c1-10(16)11-2-6-13(7-3-11)17-14-8-4-12(15)5-9-14/h2-9H,15H2,1H3

InChIKey

LLPBSWDPJYOIRK-UHFFFAOYSA-N

Compound name

1-[4-(4-aminophenoxy)phenyl]ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 93
Patents: 227.09464 Da
Monoisotopic Mass: 2.4
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]+	228.10192	149.8
[M+Na]+	250.08386	157.4
[M-H]-	226.08736	156.5
[M+NH4]+	245.12846	167.3
[M+K]+	266.05780	154.1
[M+H-H2O]+	210.09190	142.4
[M+HCOO]-	272.09284	174.3
[M+CH3COO]-	286.10849	192.7
[M+Na-2H]-	248.06931	154.6
[M]+	227.09409	149.5
[M]-	227.09519	149.5

Literature stripe

literature stripe

Patent stripe

patents stripe