CID 26746984

4-bromo-5-fluoro-2(1h)-pyridinone

Structural Information

Molecular Formula
C5H3BrFNO
SMILES
C1=C(C(=CNC1=O)F)Br
InChI
InChI=1S/C5H3BrFNO/c6-3-1-5(9)8-2-4(3)7/h1-2H,(H,8,9)
InChIKey
JKVHUEUQXAQBQR-UHFFFAOYSA-N
Compound name
4-bromo-5-fluoro-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

162
Patents

190.9382 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.945476 125.1
[M+Na]+ 213.927418 138.9
[M-H]- 189.930924 128.4
[M+NH4]+ 208.972023 146.7
[M+K]+ 229.901358 127.4
[M+H-H2O]+ 173.935460 124.9
[M+HCOO]- 235.936401 145.1
[M+CH3COO]- 249.952051 176.4
[M+Na-2H]- 211.912866 134.0
[M]+ 190.93765142 141.3
[M]- 190.93874858 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