CID 99252

3,5-dibromo-4-hydroxypyridine

Structural Information

Molecular Formula
C5H3Br2NO
SMILES
C1=C(C(=O)C(=CN1)Br)Br
InChI
InChI=1S/C5H3Br2NO/c6-3-1-8-2-4(7)5(3)9/h1-2H,(H,8,9)
InChIKey
MXBBVOSRBZCCOD-UHFFFAOYSA-N
Compound name
3,5-dibromo-1H-pyridin-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

96
Patents

250.85814 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.86542 124.1
[M+Na]+ 273.84736 136.5
[M-H]- 249.85086 129.5
[M+NH4]+ 268.89196 143.6
[M+K]+ 289.82130 120.9
[M+H-H2O]+ 233.85540 132.8
[M+HCOO]- 295.85634 140.1
[M+CH3COO]- 309.87199 193.5
[M+Na-2H]- 271.83281 133.4
[M]+ 250.85759 157.1
[M]- 250.85869 157.1
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

No patent data available for this compound.