CID 625302

[1,1'-binaphthalene]-2,2'-dithiol

Structural Information

Molecular Formula
C20H14S2
SMILES
C1=CC=C2C(=C1)C=CC(=C2C3=C(C=CC4=CC=CC=C43)S)S
InChI
InChI=1S/C20H14S2/c21-17-11-9-13-5-1-3-7-15(13)19(17)20-16-8-4-2-6-14(16)10-12-18(20)22/h1-12,21-22H
InChIKey
PQTIXYILPGIIHM-UHFFFAOYSA-N
Compound name
1-(2-sulfanylnaphthalen-1-yl)naphthalene-2-thiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

30
Patents

318.05368 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.06096 166.5
[M+Na]+ 341.04290 178.6
[M-H]- 317.04640 175.4
[M+NH4]+ 336.08750 184.3
[M+K]+ 357.01684 170.4
[M+H-H2O]+ 301.05094 159.5
[M+HCOO]- 363.05188 179.6
[M+CH3COO]- 377.06753 178.9
[M+Na-2H]- 339.02835 171.9
[M]+ 318.05313 171.4
[M]- 318.05423 171.4
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