CID 3025411

Uracil, 3-(3-bromo-6-methoxybenzyl)-5-fluoro-

Structural Information

Molecular Formula
C12H10BrFN2O3
SMILES
COC1=C(C=C(C=C1)Br)CN2C(=O)C(=CNC2=O)F
InChI
InChI=1S/C12H10BrFN2O3/c1-19-10-3-2-8(13)4-7(10)6-16-11(17)9(14)5-15-12(16)18/h2-5H,6H2,1H3,(H,15,18)
InChIKey
QIUQDSYVXRAEBY-UHFFFAOYSA-N
Compound name
3-[(5-bromo-2-methoxyphenyl)methyl]-5-fluoro-1H-pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.98587 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.99315 165.4
[M+Na]+ 350.97509 170.2
[M+NH4]+ 346.01969 167.6
[M+K]+ 366.94903 169.9
[M-H]- 326.97859 164.5
[M+Na-2H]- 348.96054 168.5
[M]+ 327.98532 164.5
[M]- 327.98642 164.5
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.