CID 202418

Pyridine, 1,2,5,6-tetrahydro-4-phenyl-1-(alpha,alpha,alpha-trifluoro-p-tolyl)-

Structural Information

Molecular Formula
C18H16F3N
SMILES
C1CN(CC=C1C2=CC=CC=C2)C3=CC=C(C=C3)C(F)(F)F
InChI
InChI=1S/C18H16F3N/c19-18(20,21)16-6-8-17(9-7-16)22-12-10-15(11-13-22)14-4-2-1-3-5-14/h1-10H,11-13H2
InChIKey
NVAYKNZSQVDLOP-UHFFFAOYSA-N
Compound name
4-phenyl-1-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.12347 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.13075 169.4
[M+Na]+ 326.11269 176.2
[M-H]- 302.11619 173.1
[M+NH4]+ 321.15729 182.4
[M+K]+ 342.08663 169.7
[M+H-H2O]+ 286.12073 157.3
[M+HCOO]- 348.12167 184.6
[M+CH3COO]- 362.13732 179.0
[M+Na-2H]- 324.09814 172.9
[M]+ 303.12292 161.7
[M]- 303.12402 161.7
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

No patent data available for this compound.