CID 103124106

1349140-83-5

Structural Information

Molecular Formula

C₈H₆BrN₃O

SMILES

C1=CC(=NC=C1Br)N2C=CNC2=O

InChI

InChI=1S/C8H6BrN3O/c9-6-1-2-7(11-5-6)12-4-3-10-8(12)13/h1-5H,(H,10,13)

InChIKey

XJEJLZQJTWXQAB-UHFFFAOYSA-N

Compound name

3-(5-bromopyridin-2-yl)-1H-imidazol-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 238.96942 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]+	239.97670	146.5
[M+Na]+	261.95864	150.8
[M+NH4]+	257.00324	150.2
[M+K]+	277.93258	152.2
[M-H]-	237.96214	146.4
[M+Na-2H]-	259.94409	150.7
[M]+	238.96887	145.8
[M]-	238.96997	145.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe