CID 4962514

2-chloro-1-(morpholin-4-yl)-2-phenylethan-1-one

Structural Information

Molecular Formula

C₁₂H₁₄ClNO₂

SMILES

C1COCCN1C(=O)C(C2=CC=CC=C2)Cl

InChI

InChI=1S/C12H14ClNO2/c13-11(10-4-2-1-3-5-10)12(15)14-6-8-16-9-7-14/h1-5,11H,6-9H2

InChIKey

FCAFIWSACLLPGG-UHFFFAOYSA-N

Compound name

2-chloro-1-morpholin-4-yl-2-phenylethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 31
Patents: 239.0713 Da
Monoisotopic Mass: 1.7
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]+	240.07858	151.8
[M+Na]+	262.06052	156.7
[M-H]-	238.06402	156.5
[M+NH4]+	257.10512	166.7
[M+K]+	278.03446	154.4
[M+H-H2O]+	222.06856	144.3
[M+HCOO]-	284.06950	164.3
[M+CH3COO]-	298.08515	187.7
[M+Na-2H]-	260.04597	155.8
[M]+	239.07075	149.9
[M]-	239.07185	149.9

Literature stripe

literature stripe

Patent stripe

patents stripe