CID 3048088

63885-19-8

Structural Information

Molecular Formula
C18H24F3N
SMILES
C1CCN(CC1)C2CCC(CC2)C3=CC(=CC=C3)C(F)(F)F
InChI
InChI=1S/C18H24F3N/c19-18(20,21)16-6-4-5-15(13-16)14-7-9-17(10-8-14)22-11-2-1-3-12-22/h4-6,13-14,17H,1-3,7-12H2
InChIKey
RWMIWMINQIMGGF-UHFFFAOYSA-N
Compound name
1-[4-[3-(trifluoromethyl)phenyl]cyclohexyl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.1861 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.19338 175.3
[M+Na]+ 334.17532 177.8
[M-H]- 310.17882 177.4
[M+NH4]+ 329.21992 187.5
[M+K]+ 350.14926 172.2
[M+H-H2O]+ 294.18336 163.0
[M+HCOO]- 356.18430 184.7
[M+CH3COO]- 370.19995 204.8
[M+Na-2H]- 332.16077 174.6
[M]+ 311.18555 161.7
[M]- 311.18665 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.