CID 2393686

119162-48-0

Structural Information

Molecular Formula
C9H7N3O3
SMILES
C1=CC(=CC=C1C2=NOC(=C2)N)[N+](=O)[O-]
InChI
InChI=1S/C9H7N3O3/c10-9-5-8(11-15-9)6-1-3-7(4-2-6)12(13)14/h1-5H,10H2
InChIKey
FBFFBDKIJDJYKM-UHFFFAOYSA-N
Compound name
3-(4-nitrophenyl)-1,2-oxazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.04874 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.05602 139.3
[M+Na]+ 228.03796 147.2
[M-H]- 204.04146 145.8
[M+NH4]+ 223.08256 155.9
[M+K]+ 244.01190 141.8
[M+H-H2O]+ 188.04600 136.4
[M+HCOO]- 250.04694 165.5
[M+CH3COO]- 264.06259 179.3
[M+Na-2H]- 226.02341 147.9
[M]+ 205.04819 137.6
[M]- 205.04929 137.6
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

No patent data available for this compound.