CID 3252371

5-nitro-2-phenoxypyridine

Structural Information

Molecular Formula

C₁₁H₈N₂O₃

SMILES

C1=CC=C(C=C1)OC2=NC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C11H8N2O3/c14-13(15)9-6-7-11(12-8-9)16-10-4-2-1-3-5-10/h1-8H

InChIKey

WUHGOFKIRXYJIV-UHFFFAOYSA-N

Compound name

5-nitro-2-phenoxypyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 93
Patents: 216.0535 Da
Monoisotopic Mass: 3.1
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]+	217.06078	142.8
[M+Na]+	239.04272	158.5
[M+NH4]+	234.08732	151.3
[M+K]+	255.01666	154.0
[M-H]-	215.04622	148.1
[M+Na-2H]-	237.02817	153.0
[M]+	216.05295	146.5
[M]-	216.05405	146.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe