CID 103695279

5-(2,4-difluorophenyl)pyrimidin-4-ol

Structural Information

Molecular Formula
C10H6F2N2O
SMILES
C1=CC(=C(C=C1F)F)C2=CN=CNC2=O
InChI
InChI=1S/C10H6F2N2O/c11-6-1-2-7(9(12)3-6)8-4-13-5-14-10(8)15/h1-5H,(H,13,14,15)
InChIKey
YDJJRJUZIUXDPO-UHFFFAOYSA-N
Compound name
5-(2,4-difluorophenyl)-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.04482 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.052096 139.3
[M+Na]+ 231.034038 150.5
[M-H]- 207.037544 140.3
[M+NH4]+ 226.078643 155.0
[M+K]+ 247.007978 145.1
[M+H-H2O]+ 191.042080 129.6
[M+HCOO]- 253.043021 159.0
[M+CH3COO]- 267.058671 182.9
[M+Na-2H]- 229.019486 145.7
[M]+ 208.04427142 135.8
[M]- 208.04536858 135.8
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.