CID 72212800

4-bromo-3-chloropyridin-2-ol

Structural Information

Molecular Formula
C5H3BrClNO
SMILES
C1=CNC(=O)C(=C1Br)Cl
InChI
InChI=1S/C5H3BrClNO/c6-3-1-2-8-5(9)4(3)7/h1-2H,(H,8,9)
InChIKey
PHWLANGMUVIMBE-UHFFFAOYSA-N
Compound name
4-bromo-3-chloro-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
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

No literature data available for this compound.

Patent stripe

patents stripe