CID 11392

2-nitronaphthalene

Structural Information

Molecular Formula

C₁₀H₇NO₂

SMILES

C1=CC=C2C=C(C=CC2=C1)[N+](=O)[O-]

InChI

InChI=1S/C10H7NO2/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H

InChIKey

ZJYJZEAJZXVAMF-UHFFFAOYSA-N

Compound name

2-nitronaphthalene

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 27
References: 1416
Patents: 173.04768 Da
Monoisotopic Mass: 3.3
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]+	174.05496	131.2
[M+Na]+	196.03690	147.0
[M+NH4]+	191.08150	141.5
[M+K]+	212.01084	141.8
[M-H]-	172.04040	136.4
[M+Na-2H]-	194.02235	140.0
[M]+	173.04713	135.0
[M]-	173.04823	135.0

Literature stripe

literature stripe

Patent stripe

patents stripe