CID 206275

1-(4-(alpha,alpha,alpha-trifluoro-m-tolyl)cyclohex-3-enyl)piperidine

Structural Information

Molecular Formula
C18H22F3N
SMILES
C1CCN(CC1)C2CCC(=CC2)C3=CC(=CC=C3)C(F)(F)F
InChI
InChI=1S/C18H22F3N/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/h4-7,13,17H,1-3,8-12H2
InChIKey
MFIFUAFNAJCZGV-UHFFFAOYSA-N
Compound name
1-[4-[3-(trifluoromethyl)phenyl]cyclohex-3-en-1-yl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.17044 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.17772 173.7
[M+Na]+ 332.15966 177.2
[M-H]- 308.16316 176.2
[M+NH4]+ 327.20426 186.1
[M+K]+ 348.13360 171.5
[M+H-H2O]+ 292.16770 161.4
[M+HCOO]- 354.16864 184.5
[M+CH3COO]- 368.18429 204.4
[M+Na-2H]- 330.14511 174.1
[M]+ 309.16989 161.6
[M]- 309.17099 161.6
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.