CID 8330

Tecnazene

Structural Information

Molecular Formula

C₆HCl₄NO₂

SMILES

C1=C(C(=C(C(=C1Cl)Cl)[N+](=O)[O-])Cl)Cl

InChI

InChI=1S/C6HCl4NO2/c7-2-1-3(8)5(10)6(4(2)9)11(12)13/h1H

InChIKey

XQTLDIFVVHJORV-UHFFFAOYSA-N

Compound name

1,2,4,5-tetrachloro-3-nitrobenzene

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 32
References: 27300
Patents: 258.87613 Da
Monoisotopic Mass: 3.9
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]+	259.88341	148.7
[M+Na]+	281.86535	158.5
[M-H]-	257.86885	148.8
[M+NH4]+	276.90995	165.5
[M+K]+	297.83929	150.3
[M+H-H2O]+	241.87339	151.5
[M+HCOO]-	303.87433	153.9
[M+CH3COO]-	317.88998	189.0
[M+Na-2H]-	279.85080	151.5
[M]+	258.87558	149.8
[M]-	258.87668	149.8

Literature stripe

literature stripe

Patent stripe

patents stripe