CID 43505881

1-[2-fluoro-6-(morpholin-4-yl)phenyl]ethan-1-ol

Structural Information

Molecular Formula

C₁₂H₁₆FNO₂

SMILES

CC(C1=C(C=CC=C1F)N2CCOCC2)O

InChI

InChI=1S/C12H16FNO2/c1-9(15)12-10(13)3-2-4-11(12)14-5-7-16-8-6-14/h2-4,9,15H,5-8H2,1H3

InChIKey

XGXUERMNJRXEOM-UHFFFAOYSA-N

Compound name

1-(2-fluoro-6-morpholin-4-ylphenyl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 225.1165 Da
Monoisotopic Mass: 1.3
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]+	226.123776	150.2
[M+Na]+	248.105718	155.9
[M-H]-	224.109224	153.0
[M+NH4]+	243.150323	164.8
[M+K]+	264.079658	154.1
[M+H-H2O]+	208.113760	141.7
[M+HCOO]-	270.114701	165.6
[M+CH3COO]-	284.130351	187.0
[M+Na-2H]-	246.091166	153.4
[M]+	225.11595142	145.5
[M]-	225.11704858	145.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.