CID 16772378

3-chloro-4-[(morpholin-4-yl)carbonyl]aniline

Structural Information

Molecular Formula

C₁₁H₁₃ClN₂O₂

SMILES

C1COCCN1C(=O)C2=C(C=C(C=C2)N)Cl

InChI

InChI=1S/C11H13ClN2O2/c12-10-7-8(13)1-2-9(10)11(15)14-3-5-16-6-4-14/h1-2,7H,3-6,13H2

InChIKey

PFROQKWMWAATAB-UHFFFAOYSA-N

Compound name

(4-amino-2-chlorophenyl)-morpholin-4-ylmethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 240.06656 Da
Monoisotopic Mass: 1.0
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]+	241.073836	152.9
[M+Na]+	263.055778	159.6
[M-H]-	239.059284	157.9
[M+NH4]+	258.100383	167.9
[M+K]+	279.029718	156.6
[M+H-H2O]+	223.063820	145.6
[M+HCOO]-	285.064761	167.1
[M+CH3COO]-	299.080411	190.5
[M+Na-2H]-	261.041226	156.5
[M]+	240.06601142	150.4
[M]-	240.06710858	150.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe