CID 23699

2,2'-dipyridyl n,n'-dioxide

Structural Information

Molecular Formula

C₁₀H₈N₂O₂

SMILES

C1=CC(=C2C=CC=C[N+]2=O)N(C=C1)[O-]

InChI

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

InChIKey

FERMVCULDZOVOJ-UHFFFAOYSA-N

Compound name

2-(1-oxido-2-pyridinylidene)pyridin-1-ium 1-oxide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 10
References: 306
Patents: 188.05858 Da
Monoisotopic Mass: 0.7
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]+	189.065856	139.2
[M+Na]+	211.047798	147.1
[M-H]-	187.051304	142.0
[M+NH4]+	206.092403	154.9
[M+K]+	227.021738	138.7
[M+H-H2O]+	171.055840	135.9
[M+HCOO]-	233.056781	159.2
[M+CH3COO]-	247.072431	170.0
[M+Na-2H]-	209.033246	147.5
[M]+	188.05803142	133.3
[M]-	188.05912858	133.3

Literature stripe

literature stripe

Patent stripe

patents stripe