CID 2737067

5-(3-nitrophenyl)oxazole

Structural Information

Molecular Formula

C₉H₆N₂O₃

SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C2=CN=CO2

InChI

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

InChIKey

ALXACHUFQSLYBV-UHFFFAOYSA-N

Compound name

5-(3-nitrophenyl)-1,3-oxazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 47
Patents: 190.03784 Da
Monoisotopic Mass: 1.8
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

No literature data available for this compound.

Patent stripe

patents stripe