CID 10933075

2-[4-(trifluoromethyl)phenyl]pyridine

Structural Information

Molecular Formula
C12H8F3N
SMILES
C1=CC=NC(=C1)C2=CC=C(C=C2)C(F)(F)F
InChI
InChI=1S/C12H8F3N/c13-12(14,15)10-6-4-9(5-7-10)11-3-1-2-8-16-11/h1-8H
InChIKey
KGZSSIFFYUBVOX-UHFFFAOYSA-N
Compound name
2-[4-(trifluoromethyl)phenyl]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

181
Patents

223.06088 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.06816 144.2
[M+Na]+ 246.05010 153.4
[M-H]- 222.05360 145.8
[M+NH4]+ 241.09470 160.9
[M+K]+ 262.02404 148.7
[M+H-H2O]+ 206.05814 134.1
[M+HCOO]- 268.05908 163.1
[M+CH3COO]- 282.07473 187.8
[M+Na-2H]- 244.03555 151.5
[M]+ 223.06033 139.5
[M]- 223.06143 139.5
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