CID 198534

70783-45-8

Structural Information

Molecular Formula

C₁₂H₁₄F₃NO₂

SMILES

C1COCCN1C2=CC=C(C=C2)C(C(F)(F)F)O

InChI

InChI=1S/C12H14F3NO2/c13-12(14,15)11(17)9-1-3-10(4-2-9)16-5-7-18-8-6-16/h1-4,11,17H,5-8H2

InChIKey

XYMJLTSIWLKJAR-UHFFFAOYSA-N

Compound name

2,2,2-trifluoro-1-(4-morpholin-4-ylphenyl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 261.09766 Da
Monoisotopic Mass: 1.9
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]+	262.10494	155.9
[M+Na]+	284.08688	161.2
[M-H]-	260.09038	155.8
[M+NH4]+	279.13148	168.7
[M+K]+	300.06082	159.0
[M+H-H2O]+	244.09492	145.8
[M+HCOO]-	306.09586	167.5
[M+CH3COO]-	320.11151	191.1
[M+Na-2H]-	282.07233	159.4
[M]+	261.09711	147.9
[M]-	261.09821	147.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe