CID 127263633

3-bromo-4-fluoropyridin-2(1h)-one

Structural Information

Molecular Formula
C5H3BrFNO
SMILES
C1=CNC(=O)C(=C1F)Br
InChI
InChI=1S/C5H3BrFNO/c6-4-3(7)1-2-8-5(4)9/h1-2H,(H,8,9)
InChIKey
IZOIZTRZNFZALX-UHFFFAOYSA-N
Compound name
3-bromo-4-fluoro-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

190.9382 Da
Monoisotopic Mass

0.9
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

literature stripe

Patent stripe

patents stripe