CID 2737065

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

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

3
Patents

190.03784 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.045116 135.9
[M+Na]+ 213.027058 143.9
[M-H]- 189.030564 142.6
[M+NH4]+ 208.071663 153.5
[M+K]+ 229.000998 139.1
[M+H-H2O]+ 173.035100 133.3
[M+HCOO]- 235.036041 161.8
[M+CH3COO]- 249.051691 174.2
[M+Na-2H]- 211.012506 145.5
[M]+ 190.03729142 135.6
[M]- 190.03838858 135.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe