CID 564873

2,6-dibromopyridine n-oxide

Structural Information

Molecular Formula

C₅H₃Br₂NO

SMILES

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

InChI

InChI=1S/C5H3Br2NO/c6-4-2-1-3-5(7)8(4)9/h1-3H

InChIKey

YOJAFCXACCYASM-UHFFFAOYSA-N

Compound name

2,6-dibromo-1-oxidopyridin-1-ium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 77
Patents: 250.85814 Da
Monoisotopic Mass: 1.9
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]+	251.86542	132.3
[M+Na]+	273.84736	144.7
[M-H]-	249.85086	137.9
[M+NH4]+	268.89196	151.8
[M+K]+	289.82130	126.4
[M+H-H2O]+	233.85540	144.6
[M+HCOO]-	295.85634	148.7
[M+CH3COO]-	309.87199	188.8
[M+Na-2H]-	271.83281	142.4
[M]+	250.85759	165.9
[M]-	250.85869	165.9

Literature stripe

literature stripe

Patent stripe

patents stripe