CID 2818130

58158-94-4

Structural Information

Molecular Formula

C₁₁H₆N₂O₃

SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C2=CC=C(O2)C#N

InChI

InChI=1S/C11H6N2O3/c12-7-10-4-5-11(16-10)8-2-1-3-9(6-8)13(14)15/h1-6H

InChIKey

LPVFWLRZUKSHEK-UHFFFAOYSA-N

Compound name

5-(3-nitrophenyl)furan-2-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 214.03784 Da
Monoisotopic Mass: 2.5
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]+	215.04512	151.3
[M+Na]+	237.02706	161.6
[M-H]-	213.03056	157.5
[M+NH4]+	232.07166	167.3
[M+K]+	253.00100	154.7
[M+H-H2O]+	197.03510	142.0
[M+HCOO]-	259.03604	173.4
[M+CH3COO]-	273.05169	192.3
[M+Na-2H]-	235.01251	157.6
[M]+	214.03729	146.2
[M]-	214.03839	146.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.