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

36
Patents

214.05424 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.061516 145.7
[M+Na]+ 237.043458 157.6
[M-H]- 213.046964 147.9
[M+NH4]+ 232.088063 160.5
[M+K]+ 253.017398 151.2
[M+H-H2O]+ 197.051500 131.1
[M+HCOO]- 259.052441 163.5
[M+CH3COO]- 273.068091 156.8
[M+Na-2H]- 235.028906 150.7
[M]+ 214.05369142 138.3
[M]- 214.05478858 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