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 166.9
[M+Na]+ 310.13892 172.6
[M-H]- 286.14242 167.8
[M+NH4]+ 305.18352 179.8
[M+K]+ 326.11286 169.5
[M+H-H2O]+ 270.14696 156.1
[M+HCOO]- 332.14790 179.7
[M+CH3COO]- 346.16355 200.9
[M+Na-2H]- 308.12437 169.5
[M]+ 287.14915 161.2
[M]- 287.15025 161.2
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.