CID 89107

21928-50-7

Structural Information

Molecular Formula
C12H13ClF3NO
SMILES
C1CNCCC1(C2=CC(=C(C=C2)Cl)C(F)(F)F)O
InChI
InChI=1S/C12H13ClF3NO/c13-10-2-1-8(7-9(10)12(14,15)16)11(18)3-5-17-6-4-11/h1-2,7,17-18H,3-6H2
InChIKey
RALRVIPTUXSBPO-UHFFFAOYSA-N
Compound name
4-[4-chloro-3-(trifluoromethyl)phenyl]piperidin-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1370
Patents

279.06378 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.07106 157.5
[M+Na]+ 302.05300 165.3
[M-H]- 278.05650 155.9
[M+NH4]+ 297.09760 173.5
[M+K]+ 318.02694 158.7
[M+H-H2O]+ 262.06104 149.3
[M+HCOO]- 324.06198 164.8
[M+CH3COO]- 338.07763 190.1
[M+Na-2H]- 300.03845 160.9
[M]+ 279.06323 149.1
[M]- 279.06433 149.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe