CID 589279

4-phenyloxazole

Structural Information

Molecular Formula

SMILES

C1=CC=C(C=C1)C2=COC=N2

InChI

InChI=1S/C9H7NO/c1-2-4-8(5-3-1)9-6-11-7-10-9/h1-7H

InChIKey

NTFMLYSGIKHECT-UHFFFAOYSA-N

Compound name

4-phenyl-1,3-oxazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1555
Patents: 145.05276 Da
Monoisotopic Mass: 2.0
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]+	146.06004	126.9
[M+Na]+	168.04198	141.6
[M+NH4]+	163.08658	136.6
[M+K]+	184.01592	136.4
[M-H]-	144.04548	132.2
[M+Na-2H]-	166.02743	136.7
[M]+	145.05221	130.6
[M]-	145.05331	130.6

Literature stripe

literature stripe

Patent stripe

patents stripe