CID 54191439

706811-25-8

Structural Information

Molecular Formula
C10H7BrN2O2
SMILES
C1=CC(=CC=C1C2=C(N=CNC2=O)O)Br
InChI
InChI=1S/C10H7BrN2O2/c11-7-3-1-6(2-4-7)8-9(14)12-5-13-10(8)15/h1-5H,(H2,12,13,14,15)
InChIKey
PIUMVXYVNAISNG-UHFFFAOYSA-N
Compound name
5-(4-bromophenyl)-4-hydroxy-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

265.9691 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.97638 145.4
[M+Na]+ 288.95832 158.3
[M-H]- 264.96182 150.3
[M+NH4]+ 284.00292 161.9
[M+K]+ 304.93226 145.4
[M+H-H2O]+ 248.96636 144.3
[M+HCOO]- 310.96730 163.7
[M+CH3COO]- 324.98295 159.5
[M+Na-2H]- 286.94377 153.5
[M]+ 265.96855 162.5
[M]- 265.96965 162.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe