CID 45791393

2-(5-nitrofuran-2-yl)-1,3,4-oxadiazole

Structural Information

Molecular Formula
C6H3N3O4
SMILES
C1=C(OC(=C1)[N+](=O)[O-])C2=NN=CO2
InChI
InChI=1S/C6H3N3O4/c10-9(11)5-2-1-4(13-5)6-8-7-3-12-6/h1-3H
InChIKey
DMBJNWQLOVXFNG-UHFFFAOYSA-N
Compound name
2-(5-nitrofuran-2-yl)-1,3,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

181.01236 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.01964 129.7
[M+Na]+ 204.00158 139.5
[M-H]- 180.00508 136.6
[M+NH4]+ 199.04618 146.7
[M+K]+ 219.97552 136.9
[M+H-H2O]+ 164.00962 127.5
[M+HCOO]- 226.01056 156.5
[M+CH3COO]- 240.02621 170.6
[M+Na-2H]- 201.98703 140.4
[M]+ 181.01181 132.7
[M]- 181.01291 132.7
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