CID 16462970

5-bromopyrimidine-2-carboxylic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

648
Patents

201.93779 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.945066 127.6
[M+Na]+ 224.927008 140.2
[M-H]- 200.930514 130.7
[M+NH4]+ 219.971613 147.2
[M+K]+ 240.900948 129.9
[M+H-H2O]+ 184.935050 127.4
[M+HCOO]- 246.935991 146.8
[M+CH3COO]- 260.951641 178.0
[M+Na-2H]- 222.912456 136.9
[M]+ 201.93724142 145.9
[M]- 201.93833858 145.9
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