CID 71299633

2-bromo-5-fluoropyridin-4-ol

Structural Information

Molecular Formula
C5H3BrFNO
SMILES
C1=C(NC=C(C1=O)F)Br
InChI
InChI=1S/C5H3BrFNO/c6-5-1-4(9)3(7)2-8-5/h1-2H,(H,8,9)
InChIKey
FMIJSVNNAUFAAC-UHFFFAOYSA-N
Compound name
2-bromo-5-fluoro-1H-pyridin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

190.9382 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.94548 125.1
[M+Na]+ 213.92742 138.9
[M-H]- 189.93092 128.4
[M+NH4]+ 208.97202 146.7
[M+K]+ 229.90136 127.4
[M+H-H2O]+ 173.93546 124.9
[M+HCOO]- 235.93640 145.1
[M+CH3COO]- 249.95205 176.4
[M+Na-2H]- 211.91287 134.0
[M]+ 190.93765 141.3
[M]- 190.93875 141.3
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