CID 94881

5-nitro-2-furonitrile

Structural Information

Molecular Formula

C₅H₂N₂O₃

SMILES

C1=C(OC(=C1)[N+](=O)[O-])C#N

InChI

InChI=1S/C5H2N2O3/c6-3-4-1-2-5(10-4)7(8)9/h1-2H

InChIKey

DUJNJLFQOODDNJ-UHFFFAOYSA-N

Compound name

5-nitrofuran-2-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 24
Patents: 138.00655 Da
Monoisotopic Mass: 1.2
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]+	139.01383	127.6
[M+Na]+	160.99577	138.1
[M-H]-	136.99927	131.6
[M+NH4]+	156.04037	146.6
[M+K]+	176.96971	134.1
[M+H-H2O]+	121.00381	119.7
[M+HCOO]-	183.00475	150.4
[M+CH3COO]-	197.02040	179.0
[M+Na-2H]-	158.98122	135.8
[M]+	138.00600	122.6
[M]-	138.00710	122.6

Literature stripe

literature stripe

Patent stripe

patents stripe