CID 22637065

4-[2-(trifluoromethyl)phenyl]piperidin-4-ol hydrochloride

Structural Information

Molecular Formula
C12H14F3NO
SMILES
C1CNCCC1(C2=CC=CC=C2C(F)(F)F)O
InChI
InChI=1S/C12H14F3NO/c13-12(14,15)10-4-2-1-3-9(10)11(17)5-7-16-8-6-11/h1-4,16-17H,5-8H2
InChIKey
RFJBFMQLLHGBFH-UHFFFAOYSA-N
Compound name
4-[2-(trifluoromethyl)phenyl]piperidin-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

130
Patents

245.10275 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.11003 153.7
[M+Na]+ 268.09197 159.8
[M-H]- 244.09547 151.8
[M+NH4]+ 263.13657 169.9
[M+K]+ 284.06591 155.0
[M+H-H2O]+ 228.10001 144.6
[M+HCOO]- 290.10095 165.5
[M+CH3COO]- 304.11660 185.1
[M+Na-2H]- 266.07742 158.1
[M]+ 245.10220 142.7
[M]- 245.10330 142.7
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