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
5
Annotation Hits

4
References

2534
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

literature stripe

Patent stripe

patents stripe