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

17
Patents

206.90865 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.915926 125.8
[M+Na]+ 229.897868 140.6
[M-H]- 205.901374 130.3
[M+NH4]+ 224.942473 147.8
[M+K]+ 245.871808 127.5
[M+H-H2O]+ 189.905910 127.3
[M+HCOO]- 251.906851 142.5
[M+CH3COO]- 265.922501 177.5
[M+Na-2H]- 227.883316 135.1
[M]+ 206.90810142 144.9
[M]- 206.90919858 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