CID 135878882

84660-25-3

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

20
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 150.3
[M+Na]+ 273.00375 165.6
[M+NH4]+ 268.04835 156.9
[M+K]+ 288.97769 159.6
[M-H]- 249.00725 151.8
[M+Na-2H]- 270.98920 158.1
[M]+ 250.01398 153.1
[M]- 250.01508 153.1
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