CID 83681182

2-bromopyrimidine-5-carboxylic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
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 127.6
[M+Na]+ 224.92701 140.2
[M-H]- 200.93051 130.7
[M+NH4]+ 219.97161 147.2
[M+K]+ 240.90095 129.9
[M+H-H2O]+ 184.93505 127.4
[M+HCOO]- 246.93599 146.8
[M+CH3COO]- 260.95164 178.0
[M+Na-2H]- 222.91246 136.9
[M]+ 201.93724 145.9
[M]- 201.93834 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