CID 432824

Oxaflozane

Structural Information

Molecular Formula
C14H18F3NO
SMILES
CC(C)N1CCOC(C1)C2=CC(=CC=C2)C(F)(F)F
InChI
InChI=1S/C14H18F3NO/c1-10(2)18-6-7-19-13(9-18)11-4-3-5-12(8-11)14(15,16)17/h3-5,8,10,13H,6-7,9H2,1-2H3
InChIKey
FVYUQFQCEOZYHZ-UHFFFAOYSA-N
Compound name
4-propan-2-yl-2-[3-(trifluoromethyl)phenyl]morpholine
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

4
References

2643
Patents

273.13406 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.14134 161.8
[M+Na]+ 296.12328 167.7
[M-H]- 272.12678 163.1
[M+NH4]+ 291.16788 175.2
[M+K]+ 312.09722 165.4
[M+H-H2O]+ 256.13132 151.5
[M+HCOO]- 318.13226 174.0
[M+CH3COO]- 332.14791 198.7
[M+Na-2H]- 294.10873 163.8
[M]+ 273.13351 155.2
[M]- 273.13461 155.2
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.