CID 17993788

6-bromo-3-chloropyridin-2-ol

Structural Information

Molecular Formula
C5H3BrClNO
SMILES
C1=C(C(=O)NC(=C1)Br)Cl
InChI
InChI=1S/C5H3BrClNO/c6-4-2-1-3(7)5(9)8-4/h1-2H,(H,8,9)
InChIKey
MWPTUKRTKIOTHO-UHFFFAOYSA-N
Compound name
6-bromo-3-chloro-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

206.90865 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.91593 130.0
[M+Na]+ 229.89787 135.3
[M+NH4]+ 224.94247 135.2
[M+K]+ 245.87181 134.8
[M-H]- 205.90137 130.0
[M+Na-2H]- 227.88332 134.4
[M]+ 206.90810 129.8
[M]- 206.90920 129.8
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