CID 3072549

4(1h)-pyrimidinone, 2-((2,6-dichlorophenyl)methyl)-5-fluoro-

Structural Information

Molecular Formula
C11H7Cl2FN2O
SMILES
C1=CC(=C(C(=C1)Cl)CC2=NC=C(C(=O)N2)F)Cl
InChI
InChI=1S/C11H7Cl2FN2O/c12-7-2-1-3-8(13)6(7)4-10-15-5-9(14)11(17)16-10/h1-3,5H,4H2,(H,15,16,17)
InChIKey
GVEXQWHKWBKDCD-UHFFFAOYSA-N
Compound name
2-[(2,6-dichlorophenyl)methyl]-5-fluoro-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.99194 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.99922 150.8
[M+Na]+ 294.98116 163.3
[M-H]- 270.98466 152.2
[M+NH4]+ 290.02576 165.5
[M+K]+ 310.95510 155.5
[M+H-H2O]+ 254.98920 143.1
[M+HCOO]- 316.99014 161.5
[M+CH3COO]- 331.00579 162.7
[M+Na-2H]- 292.96661 155.4
[M]+ 271.99139 152.4
[M]- 271.99249 152.4
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.