CID 246024

4,6-dichloroquinazoline

Structural Information

Molecular Formula

C₈H₄Cl₂N₂

SMILES

C1=CC2=C(C=C1Cl)C(=NC=N2)Cl

InChI

InChI=1S/C8H4Cl2N2/c9-5-1-2-7-6(3-5)8(10)12-4-11-7/h1-4H

InChIKey

JEBCOVKUVLFOGR-UHFFFAOYSA-N

Compound name

4,6-dichloroquinazoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 179
Patents: 197.97516 Da
Monoisotopic Mass: 3.1
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]+	198.98244	134.6
[M+Na]+	220.96438	152.4
[M+NH4]+	216.00898	144.9
[M+K]+	236.93832	143.2
[M-H]-	196.96788	137.5
[M+Na-2H]-	218.94983	143.9
[M]+	197.97461	138.7
[M]-	197.97571	138.7

Literature stripe

literature stripe

Patent stripe

patents stripe