CID 213531

26629-92-5

Structural Information

Molecular Formula
C18H18F3NO
SMILES
C1COC(CN1CC2=CC=CC=C2)C3=CC(=CC=C3)C(F)(F)F
InChI
InChI=1S/C18H18F3NO/c19-18(20,21)16-8-4-7-15(11-16)17-13-22(9-10-23-17)12-14-5-2-1-3-6-14/h1-8,11,17H,9-10,12-13H2
InChIKey
ZEBNLTZHRACWAB-UHFFFAOYSA-N
Compound name
4-benzyl-2-[3-(trifluoromethyl)phenyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.13406 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.14134 174.6
[M+Na]+ 344.12328 180.4
[M-H]- 320.12678 178.6
[M+NH4]+ 339.16788 185.4
[M+K]+ 360.09722 175.8
[M+H-H2O]+ 304.13132 162.3
[M+HCOO]- 366.13226 187.7
[M+CH3COO]- 380.14791 205.7
[M+Na-2H]- 342.10873 177.8
[M]+ 321.13351 167.4
[M]- 321.13461 167.4
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.