CID 16770310

6-bromo-4-chloro-quinazoline

Structural Information

Molecular Formula

C₈H₄BrClN₂

SMILES

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

InChI

InChI=1S/C8H4BrClN2/c9-5-1-2-7-6(3-5)8(10)12-4-11-7/h1-4H

InChIKey

JFJNDMNYNYLFLJ-UHFFFAOYSA-N

Compound name

6-bromo-4-chloroquinazoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 524
Patents: 241.92464 Da
Monoisotopic Mass: 3.2
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]+	242.931916	136.1
[M+Na]+	264.913858	151.2
[M-H]-	240.917364	141.2
[M+NH4]+	259.958463	157.1
[M+K]+	280.887798	138.3
[M+H-H2O]+	224.921900	136.4
[M+HCOO]-	286.922841	151.6
[M+CH3COO]-	300.938491	151.9
[M+Na-2H]-	262.899306	147.4
[M]+	241.92409142	156.8
[M]-	241.92518858	156.8

Literature stripe

literature stripe

Patent stripe

patents stripe