CID 617686

88145-89-5

Structural Information

Molecular Formula

C₈H₅BrN₂O₂

SMILES

C1=CC2=C(C=C1Br)C(=O)NC(=O)N2

InChI

InChI=1S/C8H5BrN2O2/c9-4-1-2-6-5(3-4)7(12)11-8(13)10-6/h1-3H,(H2,10,11,12,13)

InChIKey

JZDVFUAHGLJVQG-UHFFFAOYSA-N

Compound name

6-bromo-1H-quinazoline-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 163
Patents: 239.95345 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]+	240.96073	139.8
[M+Na]+	262.94267	144.8
[M+NH4]+	257.98727	143.7
[M+K]+	278.91661	145.0
[M-H]-	238.94617	139.0
[M+Na-2H]-	260.92812	143.0
[M]+	239.95290	139.0
[M]-	239.95400	139.0

Literature stripe

literature stripe

Patent stripe

patents stripe