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: 2396
Patents: 273.13406 Da
Monoisotopic Mass: 3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	274.14134	168.5
[M+Na]+	296.12328	177.6
[M+NH4]+	291.16788	173.9
[M+K]+	312.09722	172.0
[M-H]-	272.12678	168.0
[M+Na-2H]-	294.10873	171.9
[M]+	273.13351	169.4
[M]-	273.13461	169.4

Literature stripe

literature stripe

Patent stripe

patents stripe