CID 21329200

5-bromopyrimidine-4-carboxylic acid

Structural Information

Molecular Formula
C5H3BrN2O2
SMILES
C1=C(C(=NC=N1)C(=O)O)Br
InChI
InChI=1S/C5H3BrN2O2/c6-3-1-7-2-8-4(3)5(9)10/h1-2H,(H,9,10)
InChIKey
HZZBITVSVYFOND-UHFFFAOYSA-N
Compound name
5-bromopyrimidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

176
Patents

201.93779 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.94507 131.2
[M+Na]+ 224.92701 134.5
[M+NH4]+ 219.97161 134.8
[M+K]+ 240.90095 136.0
[M-H]- 200.93051 129.7
[M+Na-2H]- 222.91246 134.5
[M]+ 201.93724 129.9
[M]- 201.93834 129.9
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