CID 738520

5-(2-nitrophenyl)-2-furonitrile

Structural Information

Molecular Formula

C₁₁H₆N₂O₃

SMILES

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

InChI

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

InChIKey

CMKOTLZKPXMTBM-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
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	146.1
[M+Na]+	237.02706	159.6
[M+NH4]+	232.07166	151.0
[M+K]+	253.00100	154.2
[M-H]-	213.03056	144.5
[M+Na-2H]-	235.01251	150.8
[M]+	214.03729	146.7
[M]-	214.03839	146.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe