CID 3021594

Urea, (o-bromobenzoyl)-

Structural Information

Molecular Formula

C₈H₇BrN₂O₂

SMILES

C1=CC=C(C(=C1)C(=O)NC(=O)N)Br

InChI

InChI=1S/C8H7BrN2O2/c9-6-4-2-1-3-5(6)7(12)11-8(10)13/h1-4H,(H3,10,11,12,13)

InChIKey

YMLPBGILPYOYJR-UHFFFAOYSA-N

Compound name

2-bromo-N-carbamoylbenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 241.96909 Da
Monoisotopic Mass: 0.8
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]+	242.97637	142.7
[M+Na]+	264.95831	152.5
[M-H]-	240.96181	148.5
[M+NH4]+	260.00291	162.6
[M+K]+	280.93225	141.5
[M+H-H2O]+	224.96635	141.2
[M+HCOO]-	286.96729	164.9
[M+CH3COO]-	300.98294	191.3
[M+Na-2H]-	262.94376	148.4
[M]+	241.96854	158.4
[M]-	241.96964	158.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe