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]+ 322.141336 174.6
[M+Na]+ 344.123278 180.4
[M-H]- 320.126784 178.6
[M+NH4]+ 339.167883 185.4
[M+K]+ 360.097218 175.8
[M+H-H2O]+ 304.131320 162.3
[M+HCOO]- 366.132261 187.7
[M+CH3COO]- 380.147911 205.7
[M+Na-2H]- 342.108726 177.8
[M]+ 321.13351142 167.4
[M]- 321.13460858 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.