CID 486065

3-(5-nitro-2-furyl)isoxazole

Structural Information

Molecular Formula
C7H4N2O4
SMILES
C1=CON=C1C2=CC=C(O2)[N+](=O)[O-]
InChI
InChI=1S/C7H4N2O4/c10-9(11)7-2-1-6(13-7)5-3-4-12-8-5/h1-4H
InChIKey
USWYRJPZOCLAGG-UHFFFAOYSA-N
Compound name
3-(5-nitrofuran-2-yl)-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

180.0171 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.02438 131.0
[M+Na]+ 203.00632 140.6
[M-H]- 179.00982 139.1
[M+NH4]+ 198.05092 149.5
[M+K]+ 218.98026 137.8
[M+H-H2O]+ 163.01436 129.7
[M+HCOO]- 225.01530 158.8
[M+CH3COO]- 239.03095 170.7
[M+Na-2H]- 200.99177 141.3
[M]+ 180.01655 134.1
[M]- 180.01765 134.1
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.