CID 486060

3-(5-nitro-2-furyl)-4,5-dihydroisoxazole-5-carbonitrile

Structural Information

Molecular Formula
C8H5N3O4
SMILES
C1C(ON=C1C2=CC=C(O2)[N+](=O)[O-])C#N
InChI
InChI=1S/C8H5N3O4/c9-4-5-3-6(10-15-5)7-1-2-8(14-7)11(12)13/h1-2,5H,3H2
InChIKey
RPKSRURCGPTGFB-UHFFFAOYSA-N
Compound name
3-(5-nitrofuran-2-yl)-4,5-dihydro-1,2-oxazole-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.028 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.03528 142.7
[M+Na]+ 230.01722 152.4
[M-H]- 206.02072 147.8
[M+NH4]+ 225.06182 157.7
[M+K]+ 245.99116 148.1
[M+H-H2O]+ 190.02526 133.0
[M+HCOO]- 252.02620 163.0
[M+CH3COO]- 266.04185 189.4
[M+Na-2H]- 228.00267 149.0
[M]+ 207.02745 138.0
[M]- 207.02855 138.0
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.