CID 46864086

2-bromopyrimidin-5-ol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

153
Patents

173.94289 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.950166 121.6
[M+Na]+ 196.932108 134.8
[M-H]- 172.935614 124.7
[M+NH4]+ 191.976713 142.5
[M+K]+ 212.906048 124.4
[M+H-H2O]+ 156.940150 121.7
[M+HCOO]- 218.941091 141.7
[M+CH3COO]- 232.956741 173.3
[M+Na-2H]- 194.917556 132.6
[M]+ 173.94234142 139.5
[M]- 173.94343858 139.5
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

patents stripe