CID 225451

6392-26-3

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: 25
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]+	226.06293	147.0
[M+Na]+	248.04487	161.0
[M+NH4]+	243.08947	155.8
[M+K]+	264.01881	154.1
[M-H]-	224.04837	151.7
[M+Na-2H]-	246.03032	154.4
[M]+	225.05510	150.6
[M]-	225.05620	150.6

Literature stripe

literature stripe

Patent stripe

patents stripe