CID 83740

13801-50-8

Structural Information

Molecular Formula

C₆H₂Cl₄S₂

SMILES

C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)S)S

InChI

InChI=1S/C6H2Cl4S2/c7-1-2(8)4(10)6(12)5(11)3(1)9/h11-12H

InChIKey

MSSNSTXFTUNKQH-UHFFFAOYSA-N

Compound name

3,4,5,6-tetrachlorobenzene-1,2-dithiol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 192
Patents: 277.8352 Da
Monoisotopic Mass: 4.7
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]+	278.84248	143.0
[M+Na]+	300.82442	154.5
[M-H]-	276.82792	145.4
[M+NH4]+	295.86902	161.3
[M+K]+	316.79836	148.3
[M+H-H2O]+	260.83246	142.5
[M+HCOO]-	322.83340	137.2
[M+CH3COO]-	336.84905	154.4
[M+Na-2H]-	298.80987	140.5
[M]+	277.83465	146.9
[M]-	277.83575	146.9

Literature stripe

literature stripe

Patent stripe

patents stripe