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 157.0
[M+Na]+ 305.03085 169.3
[M-H]- 281.03435 155.7
[M+NH4]+ 300.07545 169.3
[M+K]+ 321.00479 162.5
[M+H-H2O]+ 265.03889 140.1
[M+HCOO]- 327.03983 170.1
[M+CH3COO]- 341.05548 207.5
[M+Na-2H]- 303.01630 159.7
[M]+ 282.04108 146.4
[M]- 282.04218 146.4
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.