CID 135741841

6-bromo-5-fluoropyrimidin-4(3h)-one

Structural Information

Molecular Formula
C4H2BrFN2O
SMILES
C1=NC(=C(C(=O)N1)F)Br
InChI
InChI=1S/C4H2BrFN2O/c5-3-2(6)4(9)8-1-7-3/h1H,(H,7,8,9)
InChIKey
FPOFJNQYNNCLGK-UHFFFAOYSA-N
Compound name
4-bromo-5-fluoro-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.93346 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.94074 123.8
[M+Na]+ 214.92268 138.1
[M-H]- 190.92618 125.9
[M+NH4]+ 209.96728 144.1
[M+K]+ 230.89662 126.6
[M+H-H2O]+ 174.93072 123.1
[M+HCOO]- 236.93166 143.0
[M+CH3COO]- 250.94731 176.2
[M+Na-2H]- 212.90813 133.4
[M]+ 191.93291 140.3
[M]- 191.93401 140.3
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.