CID 53260183

2-(2,4-difluorophenyl)-5-(trifluoromethyl)pyridine

Structural Information

Molecular Formula
C12H6F5N
SMILES
C1=CC(=C(C=C1F)F)C2=NC=C(C=C2)C(F)(F)F
InChI
InChI=1S/C12H6F5N/c13-8-2-3-9(10(14)5-8)11-4-1-7(6-18-11)12(15,16)17/h1-6H
InChIKey
FMKQPMDFNYNYAG-UHFFFAOYSA-N
Compound name
2-(2,4-difluorophenyl)-5-(trifluoromethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

391
Patents

259.04205 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.04933 150.2
[M+Na]+ 282.03127 161.4
[M-H]- 258.03477 149.9
[M+NH4]+ 277.07587 165.9
[M+K]+ 298.00521 155.8
[M+H-H2O]+ 242.03931 138.5
[M+HCOO]- 304.04025 166.8
[M+CH3COO]- 318.05590 195.7
[M+Na-2H]- 280.01672 154.7
[M]+ 259.04150 143.9
[M]- 259.04260 143.9
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

patents stripe