CID 135427100

Neocupferron

Structural Information

Molecular Formula

C₁₀H₈N₂O₂

SMILES

C1=CC=C2C(=C1)C=CC=C2/[N+](=N/O)/[O-]

InChI

InChI=1S/C10H8N2O2/c13-11-12(14)10-7-3-5-8-4-1-2-6-9(8)10/h1-7,13H/b12-11-

InChIKey

DKSFKYFQFADSJN-QXMHVHEDSA-N

Compound name

(Z)-hydroxyimino-naphthalen-1-yl-oxidoazanium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 35
Patents: 188.05858 Da
Monoisotopic Mass: 2.8
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]+	189.06586	134.0
[M+Na]+	211.04780	141.1
[M-H]-	187.05130	138.8
[M+NH4]+	206.09240	153.6
[M+K]+	227.02174	134.4
[M+H-H2O]+	171.05584	132.3
[M+HCOO]-	233.05678	160.3
[M+CH3COO]-	247.07243	178.4
[M+Na-2H]-	209.03325	145.6
[M]+	188.05803	131.7
[M]-	188.05913	131.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe