CID 72212595

1196152-10-9

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 132.3
[M+Na]+ 239.92667 144.6
[M-H]- 215.93017 135.4
[M+NH4]+ 234.97127 151.9
[M+K]+ 255.90061 133.8
[M+H-H2O]+ 199.93471 132.5
[M+HCOO]- 261.93565 151.0
[M+CH3COO]- 275.95130 179.0
[M+Na-2H]- 237.91212 139.5
[M]+ 216.93690 150.2
[M]- 216.93800 150.2
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.