CID 19014

Chlorquinox

Structural Information

Molecular Formula

C₈H₂Cl₄N₂

SMILES

C1=CN=C2C(=C(C(=C(C2=N1)Cl)Cl)Cl)Cl

InChI

InChI=1S/C8H2Cl4N2/c9-3-4(10)6(12)8-7(5(3)11)13-1-2-14-8/h1-2H

InChIKey

NHTGQOXRZFUGJX-UHFFFAOYSA-N

Compound name

5,6,7,8-tetrachloroquinoxaline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4396
Patents: 265.89722 Da
Monoisotopic Mass: 3.7
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]+	266.90450	146.1
[M+Na]+	288.88644	158.7
[M-H]-	264.88994	144.8
[M+NH4]+	283.93104	162.3
[M+K]+	304.86038	152.6
[M+H-H2O]+	248.89448	140.9
[M+HCOO]-	310.89542	146.9
[M+CH3COO]-	324.91107	157.1
[M+Na-2H]-	286.87189	151.0
[M]+	265.89667	148.5
[M]-	265.89777	148.5

Literature stripe

literature stripe

Patent stripe

patents stripe