CID 22097674

681508-70-3

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

165
Patents

245.10275 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.110026 152.8
[M+Na]+ 268.091968 159.3
[M-H]- 244.095474 152.4
[M+NH4]+ 263.136573 168.0
[M+K]+ 284.065908 155.1
[M+H-H2O]+ 228.100010 143.1
[M+HCOO]- 290.100951 166.1
[M+CH3COO]- 304.116601 189.3
[M+Na-2H]- 266.077416 155.9
[M]+ 245.10220142 143.7
[M]- 245.10329858 143.7
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