CID 135434260

Chembl5594819

Structural Information

Molecular Formula
C11H7ClN2O4
SMILES
C1=CC=C(C(=C1)C2=NC(=C(C(=O)N2)O)C(=O)O)Cl
InChI
InChI=1S/C11H7ClN2O4/c12-6-4-2-1-3-5(6)9-13-7(11(17)18)8(15)10(16)14-9/h1-4,15H,(H,17,18)(H,13,14,16)
InChIKey
GZSQYIHUWPAGIN-UHFFFAOYSA-N
Compound name
2-(2-chlorophenyl)-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.00943 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.016706 151.6
[M+Na]+ 288.998648 162.5
[M-H]- 265.002154 152.9
[M+NH4]+ 284.043253 164.4
[M+K]+ 304.972588 156.4
[M+H-H2O]+ 249.006690 144.8
[M+HCOO]- 311.007631 165.4
[M+CH3COO]- 325.023281 187.5
[M+Na-2H]- 286.984096 155.5
[M]+ 266.00888142 152.5
[M]- 266.00997858 152.5
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

No patent data available for this compound.