CID 2726791

3-bromo-5-chloropyridin-2-ol

Structural Information

Molecular Formula
C5H3BrClNO
SMILES
C1=C(C(=O)NC=C1Cl)Br
InChI
InChI=1S/C5H3BrClNO/c6-4-1-3(7)2-8-5(4)9/h1-2H,(H,8,9)
InChIKey
IPCVJZRBMDESEV-UHFFFAOYSA-N
Compound name
3-bromo-5-chloro-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

178
Patents

206.90865 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.91593 125.8
[M+Na]+ 229.89787 140.6
[M-H]- 205.90137 130.3
[M+NH4]+ 224.94247 147.8
[M+K]+ 245.87181 127.5
[M+H-H2O]+ 189.90591 127.3
[M+HCOO]- 251.90685 142.5
[M+CH3COO]- 265.92250 177.5
[M+Na-2H]- 227.88332 135.1
[M]+ 206.90810 144.9
[M]- 206.90920 144.9
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