CID 775596

189763-65-3

Structural Information

Molecular Formula

C₁₂H₁₄FNO₂

SMILES

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

InChI

InChI=1S/C12H14FNO2/c1-9(15)10-2-3-12(11(13)8-10)14-4-6-16-7-5-14/h2-3,8H,4-7H2,1H3

InChIKey

KIMOECSFZWTBMK-UHFFFAOYSA-N

Compound name

1-(3-fluoro-4-morpholin-4-ylphenyl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 15
Patents: 223.10086 Da
Monoisotopic Mass: 1.5
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]+	224.10814	148.3
[M+Na]+	246.09008	154.7
[M-H]-	222.09358	152.5
[M+NH4]+	241.13468	163.6
[M+K]+	262.06402	153.2
[M+H-H2O]+	206.09812	139.6
[M+HCOO]-	268.09906	165.4
[M+CH3COO]-	282.11471	188.7
[M+Na-2H]-	244.07553	152.0
[M]+	223.10031	144.7
[M]-	223.10141	144.7

Literature stripe

literature stripe

Patent stripe

patents stripe