CID 200901

4-(2-(alpha-(alpha,alpha,alpha-trifluoro-o-tolyl)benzyloxy)ethyl)morpholine oxalate

Structural Information

Molecular Formula
C20H22F3NO2
SMILES
C1COCCN1CCOC(C2=CC=CC=C2)C3=CC=CC=C3C(F)(F)F
InChI
InChI=1S/C20H22F3NO2/c21-20(22,23)18-9-5-4-8-17(18)19(16-6-2-1-3-7-16)26-15-12-24-10-13-25-14-11-24/h1-9,19H,10-15H2
InChIKey
NVOBZJLPQJGLAV-UHFFFAOYSA-N
Compound name
4-[2-[phenyl-[2-(trifluoromethyl)phenyl]methoxy]ethyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.16028 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.16756 186.3
[M+Na]+ 388.14950 189.8
[M-H]- 364.15300 189.6
[M+NH4]+ 383.19410 194.8
[M+K]+ 404.12344 185.9
[M+H-H2O]+ 348.15754 173.3
[M+HCOO]- 410.15848 197.9
[M+CH3COO]- 424.17413 213.4
[M+Na-2H]- 386.13495 188.1
[M]+ 365.15973 180.2
[M]- 365.16083 180.2
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.