CID 217865

Brn 1557042

Structural Information

Molecular Formula
C23H23F4NO2
SMILES
C1CN(CCC1(C2=CC(=CC=C2)C(F)(F)F)O)CC3CC3C(=O)C4=CC=C(C=C4)F
InChI
InChI=1S/C23H23F4NO2/c24-19-6-4-15(5-7-19)21(29)20-12-16(20)14-28-10-8-22(30,9-11-28)17-2-1-3-18(13-17)23(25,26)27/h1-7,13,16,20,30H,8-12,14H2
InChIKey
TZFMOHFBFVNALJ-UHFFFAOYSA-N
Compound name
(4-fluorophenyl)-[2-[[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]cyclopropyl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

421.1665 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.17378 191.1
[M+Na]+ 444.15572 198.1
[M-H]- 420.15922 195.5
[M+NH4]+ 439.20032 196.0
[M+K]+ 460.12966 191.8
[M+H-H2O]+ 404.16376 178.7
[M+HCOO]- 466.16470 201.1
[M+CH3COO]- 480.18035 224.7
[M+Na-2H]- 442.14117 189.9
[M]+ 421.16595 185.1
[M]- 421.16705 185.1
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

No patent data available for this compound.