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: 104
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]+	226.06293	146.8
[M+Na]+	248.04487	160.8
[M+NH4]+	243.08947	155.6
[M+K]+	264.01881	154.0
[M-H]-	224.04837	151.6
[M+Na-2H]-	246.03032	154.3
[M]+	225.05510	150.4
[M]-	225.05620	150.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe