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]+ 246.110026 153.7
[M+Na]+ 268.091968 159.8
[M-H]- 244.095474 151.8
[M+NH4]+ 263.136573 169.9
[M+K]+ 284.065908 155.0
[M+H-H2O]+ 228.100010 144.6
[M+HCOO]- 290.100951 165.5
[M+CH3COO]- 304.116601 185.1
[M+Na-2H]- 266.077416 158.1
[M]+ 245.10220142 142.7
[M]- 245.10329858 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