CID 112756251

4,8-dichloro-6-nitroquinazoline

Structural Information

Molecular Formula

C₈H₃Cl₂N₃O₂

SMILES

C1=C(C=C(C2=C1C(=NC=N2)Cl)Cl)[N+](=O)[O-]

InChI

InChI=1S/C8H3Cl2N3O2/c9-6-2-4(13(14)15)1-5-7(6)11-3-12-8(5)10/h1-3H

InChIKey

IMXYDVKZIBRRHB-UHFFFAOYSA-N

Compound name

4,8-dichloro-6-nitroquinazoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 242.96024 Da
Monoisotopic Mass: 3.0
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]+	243.96752	142.0
[M+Na]+	265.94946	159.5
[M+NH4]+	260.99406	151.1
[M+K]+	281.92340	154.1
[M-H]-	241.95296	145.4
[M+Na-2H]-	263.93491	149.9
[M]+	242.95969	146.1
[M]-	242.96079	146.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe