CID 20360933

1,1,2,2-tetrachloro-1-nitroethane

Structural Information

Molecular Formula

C₂HCl₄NO₂

SMILES

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

InChI

InChI=1S/C2HCl4NO2/c3-1(4)2(5,6)7(8)9/h1H

InChIKey

XZNCNRSGJGQULQ-UHFFFAOYSA-N

Compound name

1,1,2,2-tetrachloro-1-nitroethane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 210.87614 Da
Monoisotopic Mass: 2.6
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]+	211.88342	137.9
[M+Na]+	233.86536	145.1
[M-H]-	209.86886	135.0
[M+NH4]+	228.90996	155.8
[M+K]+	249.83930	138.4
[M+H-H2O]+	193.87340	142.0
[M+HCOO]-	255.87434	140.8
[M+CH3COO]-	269.88999	179.2
[M+Na-2H]-	231.85081	142.6
[M]+	210.87559	136.9
[M]-	210.87669	136.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe