CID 599528

5-bromo-2-hydroxypyridine

Structural Information

Molecular Formula
C5H4BrNO
SMILES
C1=CC(=O)NC=C1Br
InChI
InChI=1S/C5H4BrNO/c6-4-1-2-5(8)7-3-4/h1-3H,(H,7,8)
InChIKey
NDMZZQRNZFWMEZ-UHFFFAOYSA-N
Compound name
5-bromo-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

1952
Patents

172.94763 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.95491 121.9
[M+Na]+ 195.93685 134.9
[M-H]- 171.94035 126.3
[M+NH4]+ 190.98145 144.0
[M+K]+ 211.91079 123.8
[M+H-H2O]+ 155.94489 122.6
[M+HCOO]- 217.94583 143.0
[M+CH3COO]- 231.96148 172.8
[M+Na-2H]- 193.92230 132.2
[M]+ 172.94708 138.9
[M]- 172.94818 138.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe