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]+ 218.95638 132.2
[M+Na]+ 240.93832 145.0
[M-H]- 216.94182 135.1
[M+NH4]+ 235.98292 151.9
[M+K]+ 256.91226 134.5
[M+H-H2O]+ 200.94636 130.9
[M+HCOO]- 262.94730 151.4
[M+CH3COO]- 276.96295 183.9
[M+Na-2H]- 238.92377 140.8
[M]+ 217.94855 150.2
[M]- 217.94965 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.