CID 2737065

5-(4-nitrophenyl)isoxazole

Structural Information

Molecular Formula

C₉H₆N₂O₃

SMILES

C1=CC(=CC=C1C2=CC=NO2)[N+](=O)[O-]

InChI

InChI=1S/C9H6N2O3/c12-11(13)8-3-1-7(2-4-8)9-5-6-10-14-9/h1-6H

InChIKey

FVRVKMWZTNJREY-UHFFFAOYSA-N

Compound name

5-(4-nitrophenyl)-1,2-oxazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 190.03784 Da
Monoisotopic Mass: 1.9
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]+	191.04512	135.4
[M+Na]+	213.02706	149.8
[M+NH4]+	208.07166	143.8
[M+K]+	229.00100	148.4
[M-H]-	189.03056	141.1
[M+Na-2H]-	211.01251	143.7
[M]+	190.03729	138.9
[M]-	190.03839	138.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.