CID 3057375

Morpholine, 4-(2-(alpha-(alpha,alpha,alpha-trifluoro-p-tolyl)benzyloxy)ethyl)-, fumarate

Structural Information

Molecular Formula

C₂₀H₂₂F₃NO₂

SMILES

C1COCCN1CCOC(C2=CC=CC=C2)C3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C20H22F3NO2/c21-20(22,23)18-8-6-17(7-9-18)19(16-4-2-1-3-5-16)26-15-12-24-10-13-25-14-11-24/h1-9,19H,10-15H2

InChIKey

PNOVFEBZYDYQQJ-UHFFFAOYSA-N

Compound name

4-[2-[phenyl-[4-(trifluoromethyl)phenyl]methoxy]ethyl]morpholine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 365.16028 Da
Monoisotopic Mass: 3.8
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]+	366.167556	186.3
[M+Na]+	388.149498	189.8
[M-H]-	364.153004	189.6
[M+NH4]+	383.194103	194.8
[M+K]+	404.123438	185.9
[M+H-H2O]+	348.157540	173.3
[M+HCOO]-	410.158481	197.9
[M+CH3COO]-	424.174131	213.4
[M+Na-2H]-	386.134946	188.1
[M]+	365.15973142	180.2
[M]-	365.16082858	180.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.