CID 69370

1,2-benzenedithiol

Structural Information

Molecular Formula
C6H6S2
SMILES
C1=CC=C(C(=C1)S)S
InChI
InChI=1S/C6H6S2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H
InChIKey
JRNVQLOKVMWBFR-UHFFFAOYSA-N
Compound name
benzene-1,2-dithiol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

45
References

12638
Patents

141.99109 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.99837 123.1
[M+Na]+ 164.98031 136.7
[M+NH4]+ 160.02491 134.4
[M+K]+ 180.95425 125.9
[M-H]- 140.98381 127.2
[M+Na-2H]- 162.96576 130.3
[M]+ 141.99054 127.4
[M]- 141.99164 127.4
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