CID 81077

6602-33-1

Structural Information

Molecular Formula

C₅H₃Br₂NO

SMILES

C1=CC(=NC(=C1O)Br)Br

InChI

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

InChIKey

RKOLKIWJSXSHLV-UHFFFAOYSA-N

Compound name

2,6-dibromopyridin-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 110
Patents: 250.85814 Da
Monoisotopic Mass: 2.5
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]+	251.865416	125.4
[M+Na]+	273.847358	137.5
[M-H]-	249.850864	130.7
[M+NH4]+	268.891963	144.8
[M+K]+	289.821298	122.4
[M+H-H2O]+	233.855400	133.9
[M+HCOO]-	295.856341	141.2
[M+CH3COO]-	309.871991	194.1
[M+Na-2H]-	271.832806	134.6
[M]+	250.85759142	158.9
[M]-	250.85868858	158.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe