CID 225451

4-(2-chlorobenzoyl)-morpholine

Structural Information

Molecular Formula

C₁₁H₁₂ClNO₂

SMILES

C1COCCN1C(=O)C2=CC=CC=C2Cl

InChI

InChI=1S/C11H12ClNO2/c12-10-4-2-1-3-9(10)11(14)13-5-7-15-8-6-13/h1-4H,5-8H2

InChIKey

ZRGHSGNYLSCFJY-UHFFFAOYSA-N

Compound name

(2-chlorophenyl)-morpholin-4-ylmethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 48
Patents: 225.05565 Da
Monoisotopic Mass: 1.6
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]+	226.062926	147.2
[M+Na]+	248.044868	153.8
[M-H]-	224.048374	152.4
[M+NH4]+	243.089473	163.1
[M+K]+	264.018808	151.3
[M+H-H2O]+	208.052910	140.0
[M+HCOO]-	270.053851	161.0
[M+CH3COO]-	284.069501	185.0
[M+Na-2H]-	246.030316	152.3
[M]+	225.05510142	145.9
[M]-	225.05619858	145.9

Literature stripe

literature stripe

Patent stripe

patents stripe