CID 86665763

7-bromo-2,4-dichloro-6-fluoroquinazoline

Structural Information

Molecular Formula

C₈H₂BrCl₂FN₂

SMILES

C1=C2C(=CC(=C1F)Br)N=C(N=C2Cl)Cl

InChI

InChI=1S/C8H2BrCl2FN2/c9-4-2-6-3(1-5(4)12)7(10)14-8(11)13-6/h1-2H

InChIKey

WJIAEAFMXQJOIU-UHFFFAOYSA-N

Compound name

7-bromo-2,4-dichloro-6-fluoroquinazoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 62
Patents: 293.87625 Da
Monoisotopic Mass: 4.3
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]+	294.88353	143.0
[M+Na]+	316.86547	160.1
[M-H]-	292.86897	146.6
[M+NH4]+	311.91007	162.8
[M+K]+	332.83941	145.7
[M+H-H2O]+	276.87351	143.0
[M+HCOO]-	338.87445	152.5
[M+CH3COO]-	352.89010	158.0
[M+Na-2H]-	314.85092	151.6
[M]+	293.87570	164.0
[M]-	293.87680	164.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe