CID 96113

5-nitrofurfural hydrazone

Structural Information

Molecular Formula

C₅H₅N₃O₃

SMILES

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

InChI

InChI=1S/C5H5N3O3/c6-7-3-4-1-2-5(11-4)8(9)10/h1-3H,6H2

InChIKey

RAWYBMUWBNFLAS-UHFFFAOYSA-N

Compound name

(5-nitrofuran-2-yl)methylidenehydrazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 6
Patents: 155.0331 Da
Monoisotopic Mass: 0.0
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]+	156.04038	127.8
[M+Na]+	178.02232	138.1
[M+NH4]+	173.06692	135.3
[M+K]+	193.99626	138.4
[M-H]-	154.02582	132.2
[M+Na-2H]-	176.00777	132.6
[M]+	155.03255	130.0
[M]-	155.03365	130.0

Literature stripe

literature stripe

Patent stripe

patents stripe