CID 516099

Chembl300965

Structural Information

Molecular Formula
C10H7ClFN3O2
SMILES
C1=CC(=C(C=C1NC2=CC(=O)NC(=O)N2)F)Cl
InChI
InChI=1S/C10H7ClFN3O2/c11-6-2-1-5(3-7(6)12)13-8-4-9(16)15-10(17)14-8/h1-4H,(H3,13,14,15,16,17)
InChIKey
WCDLABSGLAKIGO-UHFFFAOYSA-N
Compound name
6-(4-chloro-3-fluoroanilino)-1H-pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

255.02109 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.02837 149.3
[M+Na]+ 278.01031 160.8
[M-H]- 254.01381 150.4
[M+NH4]+ 273.05491 163.1
[M+K]+ 293.98425 153.4
[M+H-H2O]+ 238.01835 141.2
[M+HCOO]- 300.01929 165.4
[M+CH3COO]- 314.03494 189.3
[M+Na-2H]- 275.99576 155.0
[M]+ 255.02054 147.7
[M]- 255.02164 147.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.