CID 3076948

4(1h)-pyrimidinone, 2-((4-bromophenyl)methyl)-5-fluoro-

Structural Information

Molecular Formula
C11H8BrFN2O
SMILES
C1=CC(=CC=C1CC2=NC=C(C(=O)N2)F)Br
InChI
InChI=1S/C11H8BrFN2O/c12-8-3-1-7(2-4-8)5-10-14-6-9(13)11(16)15-10/h1-4,6H,5H2,(H,14,15,16)
InChIKey
BORSFNUAOAYPJN-UHFFFAOYSA-N
Compound name
2-[(4-bromophenyl)methyl]-5-fluoro-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.9804 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.98768 150.2
[M+Na]+ 304.96962 163.4
[M-H]- 280.97312 155.0
[M+NH4]+ 300.01422 166.9
[M+K]+ 320.94356 150.2
[M+H-H2O]+ 264.97766 148.1
[M+HCOO]- 326.97860 168.5
[M+CH3COO]- 340.99425 193.0
[M+Na-2H]- 302.95507 157.7
[M]+ 281.97985 167.1
[M]- 281.98095 167.1
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.