CID 22137213

P-terphenyl-4,4''-dithiol

Structural Information

Molecular Formula
C18H14S2
SMILES
C1=CC(=CC=C1C2=CC=C(C=C2)S)C3=CC=C(C=C3)S
InChI
InChI=1S/C18H14S2/c19-17-9-5-15(6-10-17)13-1-2-14(4-3-13)16-7-11-18(20)12-8-16/h1-12,19-20H
InChIKey
HSAKNFPXLQYFIJ-UHFFFAOYSA-N
Compound name
4-[4-(4-sulfanylphenyl)phenyl]benzenethiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

151
Patents

294.05368 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.06096 162.2
[M+Na]+ 317.04290 172.2
[M-H]- 293.04640 172.2
[M+NH4]+ 312.08750 178.6
[M+K]+ 333.01684 164.5
[M+H-H2O]+ 277.05094 154.7
[M+HCOO]- 339.05188 176.3
[M+CH3COO]- 353.06753 174.5
[M+Na-2H]- 315.02835 163.9
[M]+ 294.05313 164.3
[M]- 294.05423 164.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.