CID 7737

1,4-benzoquinone dioxime

Structural Information

Molecular Formula

C₆H₆N₂O₂

SMILES

C1=CC(=CC=C1NO)N=O

InChI

InChI=1S/C6H6N2O2/c9-7-5-1-2-6(8-10)4-3-5/h1-4,7,9H

InChIKey

DZCCLNYLUGNUKQ-UHFFFAOYSA-N

Compound name

N-(4-nitrosophenyl)hydroxylamine

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 5
References: 13312
Patents: 138.04292 Da
Monoisotopic Mass: 1.1
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]+	139.05020	122.3
[M+Na]+	161.03214	130.4
[M-H]-	137.03564	126.6
[M+NH4]+	156.07674	143.5
[M+K]+	177.00608	129.5
[M+H-H2O]+	121.04018	116.4
[M+HCOO]-	183.04112	150.6
[M+CH3COO]-	197.05677	176.3
[M+Na-2H]-	159.01759	132.1
[M]+	138.04237	122.2
[M]-	138.04347	122.2

Literature stripe

literature stripe

Patent stripe

patents stripe