CID 17982707

4-(4-bromophenyl)morpholin-3-one

Structural Information

Molecular Formula

C₁₀H₁₀BrNO₂

SMILES

C1COCC(=O)N1C2=CC=C(C=C2)Br

InChI

InChI=1S/C10H10BrNO2/c11-8-1-3-9(4-2-8)12-5-6-14-7-10(12)13/h1-4H,5-7H2

InChIKey

SZMBYXUOLCRIIL-UHFFFAOYSA-N

Compound name

4-(4-bromophenyl)morpholin-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 72
Patents: 254.98949 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]+	255.996766	146.7
[M+Na]+	277.978708	157.0
[M-H]-	253.982214	154.8
[M+NH4]+	273.023313	164.6
[M+K]+	293.952648	147.6
[M+H-H2O]+	237.986750	145.8
[M+HCOO]-	299.987691	164.2
[M+CH3COO]-	314.003341	189.2
[M+Na-2H]-	275.964156	154.1
[M]+	254.98894142	163.0
[M]-	254.99003858	163.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe