CID 16217750

2-benzoyloxazole

Structural Information

Molecular Formula

C₁₀H₇NO₂

SMILES

C1=CC=C(C=C1)C(=O)C2=NC=CO2

InChI

InChI=1S/C10H7NO2/c12-9(10-11-6-7-13-10)8-4-2-1-3-5-8/h1-7H

InChIKey

LAYXHUOYWYRVDY-UHFFFAOYSA-N

Compound name

1,3-oxazol-2-yl(phenyl)methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 66
Patents: 173.04768 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]+	174.054956	132.9
[M+Na]+	196.036898	141.3
[M-H]-	172.040404	139.3
[M+NH4]+	191.081503	151.9
[M+K]+	212.010838	140.4
[M+H-H2O]+	156.044940	126.0
[M+HCOO]-	218.045881	156.9
[M+CH3COO]-	232.061531	176.6
[M+Na-2H]-	194.022346	140.2
[M]+	173.04713142	134.0
[M]-	173.04822858	134.0

Literature stripe

literature stripe

Patent stripe

patents stripe