CID 165767030

2-bromo-1-(2-fluoropyrimidin-5-yl)ethan-1-one

Structural Information

Molecular Formula
C6H4BrFN2O
SMILES
C1=C(C=NC(=N1)F)C(=O)CBr
InChI
InChI=1S/C6H4BrFN2O/c7-1-5(11)4-2-9-6(8)10-3-4/h2-3H,1H2
InChIKey
KRYGIHJQQMKHEJ-UHFFFAOYSA-N
Compound name
2-bromo-1-(2-fluoropyrimidin-5-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.9491 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.956376 132.2
[M+Na]+ 240.938318 145.0
[M-H]- 216.941824 135.1
[M+NH4]+ 235.982923 151.9
[M+K]+ 256.912258 134.5
[M+H-H2O]+ 200.946360 130.9
[M+HCOO]- 262.947301 151.4
[M+CH3COO]- 276.962951 183.9
[M+Na-2H]- 238.923766 140.8
[M]+ 217.94855142 150.2
[M]- 217.94964858 150.2
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.