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

0
Patents

204.95386 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.96114 129.1
[M+Na]+ 227.94308 143.4
[M-H]- 203.94658 132.7
[M+NH4]+ 222.98768 150.5
[M+K]+ 243.91702 131.6
[M+H-H2O]+ 187.95112 128.9
[M+HCOO]- 249.95206 148.9
[M+CH3COO]- 263.96771 180.3
[M+Na-2H]- 225.92853 136.8
[M]+ 204.95331 146.0
[M]- 204.95441 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

No patent data available for this compound.