CID 5228465

2-nitrobenzanthrone

Structural Information

Molecular Formula

C₁₇H₉NO₃

SMILES

C1=CC=C2C(=C1)C3=C4C(=CC(=C3)[N+](=O)[O-])C=CC=C4C2=O

InChI

InChI=1S/C17H9NO3/c19-17-13-6-2-1-5-12(13)15-9-11(18(20)21)8-10-4-3-7-14(17)16(10)15/h1-9H

InChIKey

IQECYNRTSSZPRQ-UHFFFAOYSA-N

Compound name

2-nitrobenzo[b]phenalen-7-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 88
References: 0
Patents: 275.05826 Da
Monoisotopic Mass: 4.1
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]+	276.06554	156.3
[M+Na]+	298.04748	174.0
[M+NH4]+	293.09208	167.0
[M+K]+	314.02142	167.3
[M-H]-	274.05098	162.4
[M+Na-2H]-	296.03293	163.5
[M]+	275.05771	160.8
[M]-	275.05881	160.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.