CID 4547242

3,6-dichlorobenzene-1,2-dithiol

Structural Information

Molecular Formula
C6H4Cl2S2
SMILES
C1=CC(=C(C(=C1Cl)S)S)Cl
InChI
InChI=1S/C6H4Cl2S2/c7-3-1-2-4(8)6(10)5(3)9/h1-2,9-10H
InChIKey
AJCUDWCLDWDLNY-UHFFFAOYSA-N
Compound name
3,6-dichlorobenzene-1,2-dithiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

354
Patents

209.91315 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.92043 130.5
[M+Na]+ 232.90237 142.4
[M-H]- 208.90587 135.0
[M+NH4]+ 227.94697 152.0
[M+K]+ 248.87631 136.3
[M+H-H2O]+ 192.91041 128.1
[M+HCOO]- 254.91135 135.3
[M+CH3COO]- 268.92700 183.2
[M+Na-2H]- 230.88782 131.4
[M]+ 209.91260 135.6
[M]- 209.91370 135.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe