CID 5154931

2-(4-chlorophenyl)morpholine

Structural Information

Molecular Formula

C₁₀H₁₂ClNO

SMILES

C1COC(CN1)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C10H12ClNO/c11-9-3-1-8(2-4-9)10-7-12-5-6-13-10/h1-4,10,12H,5-7H2

InChIKey

ANGMDOVGFNZDLQ-UHFFFAOYSA-N

Compound name

2-(4-chlorophenyl)morpholine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 75
Patents: 197.06075 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]+	198.068026	141.0
[M+Na]+	220.049968	147.6
[M-H]-	196.053474	144.7
[M+NH4]+	215.094573	157.4
[M+K]+	236.023908	143.9
[M+H-H2O]+	180.058010	134.3
[M+HCOO]-	242.058951	154.2
[M+CH3COO]-	256.074601	152.8
[M+Na-2H]-	218.035416	147.3
[M]+	197.06020142	137.4
[M]-	197.06129858	137.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe