CID 818549

3-bromo-2-hydroxypyridine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

4
References

1677
Patents

172.94763 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.95491 124.5
[M+Na]+ 195.93685 128.8
[M+NH4]+ 190.98145 129.5
[M+K]+ 211.91079 128.9
[M-H]- 171.94035 124.4
[M+Na-2H]- 193.92230 129.0
[M]+ 172.94708 123.8
[M]- 172.94818 123.8
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