CID 53229143

2-(3-fluorophenyl)pyridin-4-ol

Structural Information

Molecular Formula
C11H8FNO
SMILES
C1=CC(=CC(=C1)F)C2=CC(=O)C=CN2
InChI
InChI=1S/C11H8FNO/c12-9-3-1-2-8(6-9)11-7-10(14)4-5-13-11/h1-7H,(H,13,14)
InChIKey
ITKHUIVLQZXVCA-UHFFFAOYSA-N
Compound name
2-(3-fluorophenyl)-1H-pyridin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.05899 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.066266 135.9
[M+Na]+ 212.048208 145.7
[M-H]- 188.051714 139.3
[M+NH4]+ 207.092813 153.6
[M+K]+ 228.022148 140.8
[M+H-H2O]+ 172.056250 127.9
[M+HCOO]- 234.057191 157.9
[M+CH3COO]- 248.072841 179.2
[M+Na-2H]- 210.033656 143.2
[M]+ 189.05844142 133.0
[M]- 189.05953858 133.0
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.