CID 154700116

Ns00117825

Structural Information

Molecular Formula

C₁₇H₁₃NO₂

SMILES

C1=CC=C2C(=C1)C3=C4C(C=CC=C4C2=O)C(C=C3)NO

InChI

InChI=1S/C17H13NO2/c19-17-12-5-2-1-4-10(12)11-8-9-15(18-20)13-6-3-7-14(17)16(11)13/h1-9,13,15,18,20H

InChIKey

YNTLLJJVUJRBPX-UHFFFAOYSA-N

Compound name

3-(hydroxyamino)-3,3a-dihydrobenzo[b]phenalen-7-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 263.09464 Da
Monoisotopic Mass: 1.9
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]+	264.101916	154.9
[M+Na]+	286.083858	163.2
[M-H]-	262.087364	159.2
[M+NH4]+	281.128463	173.9
[M+K]+	302.057798	157.5
[M+H-H2O]+	246.091900	147.5
[M+HCOO]-	308.092841	173.2
[M+CH3COO]-	322.108491	166.5
[M+Na-2H]-	284.069306	164.0
[M]+	263.09409142	153.9
[M]-	263.09518858	153.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.