CID 255034

Phenanthrenequinone dioxime

Structural Information

Molecular Formula

C₁₄H₁₀N₂O₂

SMILES

C1=CC=C2C(=C1)C3=CC=CC=C3C(=C2NO)N=O

InChI

InChI=1S/C14H10N2O2/c17-15-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(13)16-18/h1-8,15,17H

InChIKey

IERNNCWIAQGPSR-UHFFFAOYSA-N

Compound name

N-(10-nitrosophenanthren-9-yl)hydroxylamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
Patents: 238.07423 Da
Monoisotopic Mass: 3.8
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]+	239.08151	146.1
[M+Na]+	261.06345	156.4
[M-H]-	237.06695	152.6
[M+NH4]+	256.10805	165.6
[M+K]+	277.03739	152.2
[M+H-H2O]+	221.07149	139.0
[M+HCOO]-	283.07243	172.8
[M+CH3COO]-	297.08808	160.1
[M+Na-2H]-	259.04890	158.0
[M]+	238.07368	148.8
[M]-	238.07478	148.8

Literature stripe

literature stripe

Patent stripe

patents stripe