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

175
Patents

173.94289 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.95017 121.6
[M+Na]+ 196.93211 134.8
[M-H]- 172.93561 124.7
[M+NH4]+ 191.97671 142.5
[M+K]+ 212.90605 124.4
[M+H-H2O]+ 156.94015 121.7
[M+HCOO]- 218.94109 141.7
[M+CH3COO]- 232.95674 173.3
[M+Na-2H]- 194.91756 132.6
[M]+ 173.94234 139.5
[M]- 173.94344 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