CID 532148

4-(4-bromobenzoyl)morpholine

Structural Information

Molecular Formula

C₁₁H₁₂BrNO₂

SMILES

C1COCCN1C(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C11H12BrNO2/c12-10-3-1-9(2-4-10)11(14)13-5-7-15-8-6-13/h1-4H,5-8H2

InChIKey

FTAGZJAFWFNHAP-UHFFFAOYSA-N

Compound name

(4-bromophenyl)-morpholin-4-ylmethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 116
Patents: 269.00513 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]+	270.01241	152.2
[M+Na]+	291.99435	160.9
[M-H]-	267.99785	159.9
[M+NH4]+	287.03895	169.3
[M+K]+	307.96829	151.8
[M+H-H2O]+	252.00239	151.1
[M+HCOO]-	314.00333	168.5
[M+CH3COO]-	328.01898	191.1
[M+Na-2H]-	289.97980	158.6
[M]+	269.00458	167.8
[M]-	269.00568	167.8

Literature stripe

literature stripe

Patent stripe

patents stripe