CID 9576143

Dinitrofurazolidone

Structural Information

Molecular Formula

C₈H₈N₂O₃

SMILES

C1COC(=O)N1/N=C/C2=CC=CO2

InChI

InChI=1S/C8H8N2O3/c11-8-10(3-5-13-8)9-6-7-2-1-4-12-7/h1-2,4,6H,3,5H2/b9-6+

InChIKey

JZSCDNDWOSCSJX-RMKNXTFCSA-N

Compound name

3-[(E)-furan-2-ylmethylideneamino]-1,3-oxazolidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 180.0535 Da
Monoisotopic Mass: -0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	181.060776	134.2
[M+Na]+	203.042718	142.2
[M-H]-	179.046224	142.3
[M+NH4]+	198.087323	153.8
[M+K]+	219.016658	143.6
[M+H-H2O]+	163.050760	128.0
[M+HCOO]-	225.051701	159.5
[M+CH3COO]-	239.067351	180.1
[M+Na-2H]-	201.028166	140.3
[M]+	180.05295142	135.9
[M]-	180.05404858	135.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.