CID 13149226

6794-70-3

Structural Information

Molecular Formula

C₉H₇BrN₂O

SMILES

C1=CC(=CC=C1C2=CNC(=O)N2)Br

InChI

InChI=1S/C9H7BrN2O/c10-7-3-1-6(2-4-7)8-5-11-9(13)12-8/h1-5H,(H2,11,12,13)

InChIKey

ZQZRRGGPCCTNFN-UHFFFAOYSA-N

Compound name

4-(4-bromophenyl)-1,3-dihydroimidazol-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 237.97418 Da
Monoisotopic Mass: 1.5
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]+	238.98146	147.2
[M+Na]+	260.96340	151.1
[M+NH4]+	256.00800	151.3
[M+K]+	276.93734	152.3
[M-H]-	236.96690	147.4
[M+Na-2H]-	258.94885	151.1
[M]+	237.97363	146.5
[M]-	237.97473	146.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe