CID 3054985

71863-73-5

Structural Information

Molecular Formula
C15H18F3N
SMILES
CC(C)N1CCC=C(C1)C2=CC(=CC=C2)C(F)(F)F
InChI
InChI=1S/C15H18F3N/c1-11(2)19-8-4-6-13(10-19)12-5-3-7-14(9-12)15(16,17)18/h3,5-7,9,11H,4,8,10H2,1-2H3
InChIKey
IOCZWTYALBDTKD-UHFFFAOYSA-N
Compound name
1-propan-2-yl-5-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

269.13913 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.14641 160.8
[M+Na]+ 292.12835 167.3
[M-H]- 268.13185 161.7
[M+NH4]+ 287.17295 175.8
[M+K]+ 308.10229 162.9
[M+H-H2O]+ 252.13639 150.5
[M+HCOO]- 314.13733 174.8
[M+CH3COO]- 328.15298 199.4
[M+Na-2H]- 290.11380 162.5
[M]+ 269.13858 154.0
[M]- 269.13968 154.0
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

patents stripe