CID 135480640

Chembl291554

Structural Information

Molecular Formula
C10H7ClFN3O
SMILES
C1=CC(=CC=C1C2=C(C(=O)NC(=N2)N)Cl)F
InChI
InChI=1S/C10H7ClFN3O/c11-7-8(14-10(13)15-9(7)16)5-1-3-6(12)4-2-5/h1-4H,(H3,13,14,15,16)
InChIKey
FIVCOABAVBDTKY-UHFFFAOYSA-N
Compound name
2-amino-5-chloro-4-(4-fluorophenyl)-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

239.02617 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.03345 147.3
[M+Na]+ 262.01539 159.2
[M-H]- 238.01889 149.2
[M+NH4]+ 257.05999 162.4
[M+K]+ 277.98933 152.2
[M+H-H2O]+ 222.02343 139.2
[M+HCOO]- 284.02437 163.9
[M+CH3COO]- 298.04002 159.6
[M+Na-2H]- 260.00084 152.4
[M]+ 239.02562 145.8
[M]- 239.02672 145.8
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.