CID 155822556

2503209-40-1

Structural Information

Molecular Formula
C6H5BrFNO
SMILES
CC1=C(C=C(C(=O)N1)F)Br
InChI
InChI=1S/C6H5BrFNO/c1-3-4(7)2-5(8)6(10)9-3/h2H,1H3,(H,9,10)
InChIKey
UVCOYAJLJSYTEX-UHFFFAOYSA-N
Compound name
5-bromo-3-fluoro-6-methyl-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

204.95386 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.961136 129.1
[M+Na]+ 227.943078 143.4
[M-H]- 203.946584 132.7
[M+NH4]+ 222.987683 150.5
[M+K]+ 243.917018 131.6
[M+H-H2O]+ 187.951120 128.9
[M+HCOO]- 249.952061 148.9
[M+CH3COO]- 263.967711 180.3
[M+Na-2H]- 225.928526 136.8
[M]+ 204.95331142 146.0
[M]- 204.95440858 146.0
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