CID 13923850

84331-15-7

Structural Information

Molecular Formula
C7H5BrFNO
SMILES
C1=CC(=NC=C1C(=O)CBr)F
InChI
InChI=1S/C7H5BrFNO/c8-3-6(11)5-1-2-7(9)10-4-5/h1-2,4H,3H2
InChIKey
LJKBMOJQJMPXQW-UHFFFAOYSA-N
Compound name
2-bromo-1-(6-fluoro-3-pyridinyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

216.95386 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.961136 133.9
[M+Na]+ 239.943078 146.3
[M-H]- 215.946584 138.0
[M+NH4]+ 234.987683 154.9
[M+K]+ 255.917018 135.7
[M+H-H2O]+ 199.951120 133.1
[M+HCOO]- 261.952061 153.9
[M+CH3COO]- 275.967711 184.2
[M+Na-2H]- 237.928526 141.8
[M]+ 216.95331142 151.7
[M]- 216.95440858 151.7
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