CID 23443363

162848-18-2

Structural Information

Molecular Formula

C₁₁H₁₂ClNO₂

SMILES

C1COCCN1C2=CC=C(C=C2)C(=O)Cl

InChI

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

InChIKey

QYRFXSATEZBGOS-UHFFFAOYSA-N

Compound name

4-morpholin-4-ylbenzoyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 119
Patents: 225.05565 Da
Monoisotopic Mass: 1.9
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	147.0
[M+Na]+	248.044868	153.5
[M-H]-	224.048374	152.1
[M+NH4]+	243.089473	162.8
[M+K]+	264.018808	150.9
[M+H-H2O]+	208.052910	139.7
[M+HCOO]-	270.053851	160.8
[M+CH3COO]-	284.069501	185.7
[M+Na-2H]-	246.030316	152.0
[M]+	225.05510142	145.8
[M]-	225.05619858	145.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe