CID 135434260

2-(2-chlorophenyl)-5,6-dihydroxy-pyrimidine-4-carboxylic acid

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]+ 267.01671 151.6
[M+Na]+ 288.99865 162.5
[M-H]- 265.00215 152.9
[M+NH4]+ 284.04325 164.4
[M+K]+ 304.97259 156.4
[M+H-H2O]+ 249.00669 144.8
[M+HCOO]- 311.00763 165.4
[M+CH3COO]- 325.02328 187.5
[M+Na-2H]- 286.98410 155.5
[M]+ 266.00888 152.5
[M]- 266.00998 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.