CID 817673

2587-00-0

Structural Information

Molecular Formula

C₅H₃Cl₂NO

SMILES

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

InChI

InChI=1S/C5H3Cl2NO/c6-4-2-1-3-5(7)8(4)9/h1-3H

InChIKey

RFOMGVDPYLWLOC-UHFFFAOYSA-N

Compound name

2,6-dichloro-1-oxidopyridin-1-ium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 171
Patents: 162.95917 Da
Monoisotopic Mass: 1.8
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]+	163.96645	123.8
[M+Na]+	185.94839	141.4
[M+NH4]+	180.99299	134.1
[M+K]+	201.92233	135.5
[M-H]-	161.95189	127.1
[M+Na-2H]-	183.93384	132.3
[M]+	162.95862	128.0
[M]-	162.95972	128.0

Literature stripe

literature stripe

Patent stripe

patents stripe