CID 88256

5-bromo-4-hydroxypyrimidine

Structural Information

Molecular Formula
C4H3BrN2O
SMILES
C1=C(C(=O)NC=N1)Br
InChI
InChI=1S/C4H3BrN2O/c5-3-1-6-2-7-4(3)8/h1-2H,(H,6,7,8)
InChIKey
CLJIGLPOBRSBNU-UHFFFAOYSA-N
Compound name
5-bromo-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

275
Patents

173.94289 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.950166 120.6
[M+Na]+ 196.932108 134.0
[M-H]- 172.935614 123.7
[M+NH4]+ 191.976713 141.4
[M+K]+ 212.906048 123.0
[M+H-H2O]+ 156.940150 120.7
[M+HCOO]- 218.941091 140.8
[M+CH3COO]- 232.956741 172.6
[M+Na-2H]- 194.917556 131.5
[M]+ 173.94234142 137.8
[M]- 173.94343858 137.8
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