CID 1472839

366022-33-5

Structural Information

Molecular Formula
C13H6F4N2O
SMILES
C1=CC(=CC=C1C2=CC(=C(C(=O)N2)C#N)C(F)(F)F)F
InChI
InChI=1S/C13H6F4N2O/c14-8-3-1-7(2-4-8)11-5-10(13(15,16)17)9(6-18)12(20)19-11/h1-5H,(H,19,20)
InChIKey
JGPWZOMOEKOIMO-UHFFFAOYSA-N
Compound name
6-(4-fluorophenyl)-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

282.04163 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.04891 166.0
[M+Na]+ 305.03085 176.4
[M+NH4]+ 300.07545 167.1
[M+K]+ 321.00479 167.2
[M-H]- 281.03435 156.1
[M+Na-2H]- 303.01630 168.0
[M]+ 282.04108 163.8
[M]- 282.04218 163.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.