CID 213533

26629-94-7

Structural Information

Molecular Formula
C15H20F3NO
SMILES
CCCCN1CCOC(C1)C2=CC(=CC=C2)C(F)(F)F
InChI
InChI=1S/C15H20F3NO/c1-2-3-7-19-8-9-20-14(11-19)12-5-4-6-13(10-12)15(16,17)18/h4-6,10,14H,2-3,7-9,11H2,1H3
InChIKey
NMFRWKCWTNBHHH-UHFFFAOYSA-N
Compound name
4-butyl-2-[3-(trifluoromethyl)phenyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.1497 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.15698 172.8
[M+Na]+ 310.13892 182.1
[M+NH4]+ 305.18352 178.3
[M+K]+ 326.11286 175.6
[M-H]- 286.14242 172.6
[M+Na-2H]- 308.12437 176.3
[M]+ 287.14915 173.9
[M]- 287.15025 173.9
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.