CID 3069740

85093-34-1

Structural Information

Molecular Formula
C11H8BrFN2O2
SMILES
C1=CC(=CC=C1CN2C=C(C(=O)NC2=O)F)Br
InChI
InChI=1S/C11H8BrFN2O2/c12-8-3-1-7(2-4-8)5-15-6-9(13)10(16)14-11(15)17/h1-4,6H,5H2,(H,14,16,17)
InChIKey
LZBNOKKOEUKELJ-UHFFFAOYSA-N
Compound name
1-[(4-bromophenyl)methyl]-5-fluoropyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.9753 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.98258 151.7
[M+Na]+ 320.96452 165.8
[M-H]- 296.96802 156.9
[M+NH4]+ 316.00912 167.9
[M+K]+ 336.93846 152.6
[M+H-H2O]+ 280.97256 149.5
[M+HCOO]- 342.97350 170.3
[M+CH3COO]- 356.98915 195.4
[M+Na-2H]- 318.94997 158.5
[M]+ 297.97475 169.6
[M]- 297.97585 169.6
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