CID 532184

(2-bromophenyl)(morpholino)methanone

Structural Information

Molecular Formula

C₁₁H₁₂BrNO₂

SMILES

C1COCCN1C(=O)C2=CC=CC=C2Br

InChI

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

InChIKey

QPQCGIYRAMNHKH-UHFFFAOYSA-N

Compound name

(2-bromophenyl)-morpholin-4-ylmethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 61
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]+	270.012406	152.2
[M+Na]+	291.994348	160.9
[M-H]-	267.997854	159.9
[M+NH4]+	287.038953	169.3
[M+K]+	307.968288	151.8
[M+H-H2O]+	252.002390	151.1
[M+HCOO]-	314.003331	168.5
[M+CH3COO]-	328.018981	191.1
[M+Na-2H]-	289.979796	158.6
[M]+	269.00458142	167.8
[M]-	269.00567858	167.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe