CID 5203164

Methyl n-(4-bromophenyl)carbamate

Structural Information

Molecular Formula

C₈H₈BrNO₂

SMILES

COC(=O)NC1=CC=C(C=C1)Br

InChI

InChI=1S/C8H8BrNO2/c1-12-8(11)10-7-4-2-6(9)3-5-7/h2-5H,1H3,(H,10,11)

InChIKey

GLRFFVNPNGTCSW-UHFFFAOYSA-N

Compound name

methyl N-(4-bromophenyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 31
Patents: 228.97385 Da
Monoisotopic Mass: 2.6
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]+	229.98113	139.1
[M+Na]+	251.96307	141.7
[M+NH4]+	247.00767	143.6
[M+K]+	267.93701	142.2
[M-H]-	227.96657	139.7
[M+Na-2H]-	249.94852	142.8
[M]+	228.97330	138.3
[M]-	228.97440	138.3

Literature stripe

literature stripe

Patent stripe

patents stripe