CID 69046611

348635-40-5

Structural Information

Molecular Formula
C6H4BrNO3
SMILES
C1=CN=C(C(=C1Br)O)C(=O)O
InChI
InChI=1S/C6H4BrNO3/c7-3-1-2-8-4(5(3)9)6(10)11/h1-2,9H,(H,10,11)
InChIKey
HTNFRWNPQNKTAU-UHFFFAOYSA-N
Compound name
4-bromo-3-hydroxypyridine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

216.93745 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.944726 132.3
[M+Na]+ 239.926668 144.6
[M-H]- 215.930174 135.4
[M+NH4]+ 234.971273 151.9
[M+K]+ 255.900608 133.8
[M+H-H2O]+ 199.934710 132.5
[M+HCOO]- 261.935651 151.0
[M+CH3COO]- 275.951301 179.0
[M+Na-2H]- 237.912116 139.5
[M]+ 216.93690142 150.2
[M]- 216.93799858 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

patents stripe