CID 65774

Flumexadol

Structural Information

Molecular Formula

C₁₁H₁₂F₃NO

SMILES

C1COC(CN1)C2=CC(=CC=C2)C(F)(F)F

InChI

InChI=1S/C11H12F3NO/c12-11(13,14)9-3-1-2-8(6-9)10-7-15-4-5-16-10/h1-3,6,10,15H,4-5,7H2

InChIKey

GXPYCYWPUGKQIJ-UHFFFAOYSA-N

Compound name

2-[3-(trifluoromethyl)phenyl]morpholine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 84
Patents: 231.0871 Da
Monoisotopic Mass: 2.0
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]+	232.09438	148.3
[M+Na]+	254.07632	154.4
[M-H]-	230.07982	148.3
[M+NH4]+	249.12092	162.5
[M+K]+	270.05026	151.3
[M+H-H2O]+	214.08436	138.5
[M+HCOO]-	276.08530	161.0
[M+CH3COO]-	290.10095	185.1
[M+Na-2H]-	252.06177	153.4
[M]+	231.08655	139.1
[M]-	231.08765	139.1

Literature stripe

literature stripe

Patent stripe

patents stripe