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

45
Patents

190.03784 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.04512 135.9
[M+Na]+ 213.02706 143.9
[M-H]- 189.03056 142.6
[M+NH4]+ 208.07166 153.5
[M+K]+ 229.00100 139.1
[M+H-H2O]+ 173.03510 133.3
[M+HCOO]- 235.03604 161.8
[M+CH3COO]- 249.05169 174.2
[M+Na-2H]- 211.01251 145.5
[M]+ 190.03729 135.6
[M]- 190.03839 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

No literature data available for this compound.

Patent stripe

patents stripe