CID 2765203

31755-80-3

Structural Information

Molecular Formula
C12H7FN2O
SMILES
C1=CC(=CC=C1C2=CC=C(C(=O)N2)C#N)F
InChI
InChI=1S/C12H7FN2O/c13-10-4-1-8(2-5-10)11-6-3-9(7-14)12(16)15-11/h1-6H,(H,15,16)
InChIKey
PYJGVVJYSZCUCO-UHFFFAOYSA-N
Compound name
6-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

214.05424 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.06152 145.7
[M+Na]+ 237.04346 157.6
[M-H]- 213.04696 147.9
[M+NH4]+ 232.08806 160.5
[M+K]+ 253.01740 151.2
[M+H-H2O]+ 197.05150 131.1
[M+HCOO]- 259.05244 163.5
[M+CH3COO]- 273.06809 156.8
[M+Na-2H]- 235.02891 150.7
[M]+ 214.05369 138.3
[M]- 214.05479 138.3
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

patents stripe