CID 135878882

2-(4-chlorophenyl)-6-hydroxypyrimidine-4-carboxylic acid

Structural Information

Molecular Formula
C11H7ClN2O3
SMILES
C1=CC(=CC=C1C2=NC(=CC(=O)N2)C(=O)O)Cl
InChI
InChI=1S/C11H7ClN2O3/c12-7-3-1-6(2-4-7)10-13-8(11(16)17)5-9(15)14-10/h1-5H,(H,16,17)(H,13,14,15)
InChIKey
CKGHKABQBNRCMM-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)-6-oxo-1H-pyrimidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

250.01453 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.02181 148.5
[M+Na]+ 273.00375 159.2
[M-H]- 249.00725 150.8
[M+NH4]+ 268.04835 162.5
[M+K]+ 288.97769 153.2
[M+H-H2O]+ 233.01179 141.4
[M+HCOO]- 295.01273 163.6
[M+CH3COO]- 309.02838 186.2
[M+Na-2H]- 270.98920 153.7
[M]+ 250.01398 149.4
[M]- 250.01508 149.4
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