CID 3109

Dipyrithione

Structural Information

Molecular Formula

C₁₀H₈N₂O₂S₂

SMILES

C1=CC=[N+](C(=C1)SSC2=CC=CC=[N+]2[O-])[O-]

InChI

InChI=1S/C10H8N2O2S2/c13-11-7-3-1-5-9(11)15-16-10-6-2-4-8-12(10)14/h1-8H

InChIKey

ZHDBTKPXEJDTTQ-UHFFFAOYSA-N

Compound name

1-oxido-2-[(1-oxidopyridin-1-ium-2-yl)disulfanyl]pyridin-1-ium

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 24
References: 14387
Patents: 252.00272 Da
Monoisotopic Mass: 0.6
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]+	253.01000	145.8
[M+Na]+	274.99194	162.8
[M+NH4]+	270.03654	155.3
[M+K]+	290.96588	155.7
[M-H]-	250.99544	151.7
[M+Na-2H]-	272.97739	153.8
[M]+	252.00217	150.9
[M]-	252.00327	150.9

Literature stripe

literature stripe

Patent stripe

patents stripe