CID 72212595

2-bromo-3-hydroxyisonicotinic acid

Structural Information

Molecular Formula
C6H4BrNO3
SMILES
C1=CN=C(C(=C1C(=O)O)O)Br
InChI
InChI=1S/C6H4BrNO3/c7-5-4(9)3(6(10)11)1-2-8-5/h1-2,9H,(H,10,11)
InChIKey
FGMLGAJKFOKDQZ-UHFFFAOYSA-N
Compound name
2-bromo-3-hydroxypyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.93745 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.94473 134.7
[M+Na]+ 239.92667 137.5
[M+NH4]+ 234.97127 138.2
[M+K]+ 255.90061 139.5
[M-H]- 215.93017 133.2
[M+Na-2H]- 237.91212 137.1
[M]+ 216.93690 133.3
[M]- 216.93800 133.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.