CID 51272

Scs 143

Structural Information

Molecular Formula

C₁₀H₁₁BrN₂O₃

SMILES

CCOC(=O)N(C1=CC=CC=C1Br)C(=O)N

InChI

InChI=1S/C10H11BrN2O3/c1-2-16-10(15)13(9(12)14)8-6-4-3-5-7(8)11/h3-6H,2H2,1H3,(H2,12,14)

InChIKey

BTPKCEPCEQYPJZ-UHFFFAOYSA-N

Compound name

ethyl N-(2-bromophenyl)-N-carbamoylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 285.9953 Da
Monoisotopic Mass: 2.5
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]+	287.002576	154.3
[M+Na]+	308.984518	163.3
[M-H]-	284.988024	161.1
[M+NH4]+	304.029123	173.1
[M+K]+	324.958458	153.8
[M+H-H2O]+	268.992560	152.1
[M+HCOO]-	330.993501	176.5
[M+CH3COO]-	345.009151	201.5
[M+Na-2H]-	306.969966	158.3
[M]+	285.99475142	173.1
[M]-	285.99584858	173.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe