CID 49761582

1-(5-bromo-3-fluoropyridin-2-yl)ethanone

Structural Information

Molecular Formula
C7H5BrFNO
SMILES
CC(=O)C1=C(C=C(C=N1)Br)F
InChI
InChI=1S/C7H5BrFNO/c1-4(11)7-6(9)2-5(8)3-10-7/h2-3H,1H3
InChIKey
UJKOXVSYARTOMX-UHFFFAOYSA-N
Compound name
1-(5-bromo-3-fluoropyridin-2-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

160
Patents

216.95386 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.96114 137.0
[M+Na]+ 239.94308 140.6
[M+NH4]+ 234.98768 141.2
[M+K]+ 255.91702 140.8
[M-H]- 215.94658 135.9
[M+Na-2H]- 237.92853 140.3
[M]+ 216.95331 135.9
[M]- 216.95441 135.9
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