CID 22097674

1-(4-trifluoromethylphenyl)piperidin-4-ol

Structural Information

Molecular Formula
C12H14F3NO
SMILES
C1CN(CCC1O)C2=CC=C(C=C2)C(F)(F)F
InChI
InChI=1S/C12H14F3NO/c13-12(14,15)9-1-3-10(4-2-9)16-7-5-11(17)6-8-16/h1-4,11,17H,5-8H2
InChIKey
KKEZLXOOIIFZGD-UHFFFAOYSA-N
Compound name
1-[4-(trifluoromethyl)phenyl]piperidin-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

172
Patents

245.10275 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.11003 158.3
[M+Na]+ 268.09197 167.3
[M+NH4]+ 263.13657 164.0
[M+K]+ 284.06591 161.6
[M-H]- 244.09547 156.5
[M+Na-2H]- 266.07742 162.6
[M]+ 245.10220 158.7
[M]- 245.10330 158.7
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

patents stripe