CID 136677450

6-bromo-8-chloroquinazolin-4(3h)-one

Structural Information

Molecular Formula

C₈H₄BrClN₂O

SMILES

C1=C(C=C(C2=C1C(=O)NC=N2)Cl)Br

InChI

InChI=1S/C8H4BrClN2O/c9-4-1-5-7(6(10)2-4)11-3-12-8(5)13/h1-3H,(H,11,12,13)

InChIKey

KIFCAEBLOMLFBU-UHFFFAOYSA-N

Compound name

6-bromo-8-chloro-3H-quinazolin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 257.91956 Da
Monoisotopic Mass: 2.0
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]+	258.92684	142.4
[M+Na]+	280.90878	149.0
[M+NH4]+	275.95338	147.6
[M+K]+	296.88272	147.7
[M-H]-	256.91228	142.6
[M+Na-2H]-	278.89423	146.7
[M]+	257.91901	142.5
[M]-	257.92011	142.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe