CID 129916203

2-bromopyridine-3,4-diol

Structural Information

Molecular Formula
C5H4BrNO2
SMILES
C1=CNC(=C(C1=O)O)Br
InChI
InChI=1S/C5H4BrNO2/c6-5-4(9)3(8)1-2-7-5/h1-2,9H,(H,7,8)
InChIKey
DEGZOKILIHNPNW-UHFFFAOYSA-N
Compound name
2-bromo-3-hydroxy-1H-pyridin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.94254 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.94982 125.3
[M+Na]+ 211.93176 138.5
[M-H]- 187.93526 128.6
[M+NH4]+ 206.97636 146.3
[M+K]+ 227.90570 126.9
[M+H-H2O]+ 171.93980 125.9
[M+HCOO]- 233.94074 145.1
[M+CH3COO]- 247.95639 173.4
[M+Na-2H]- 209.91721 134.2
[M]+ 188.94199 142.1
[M]- 188.94309 142.1
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.