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

203
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

literature stripe

Patent stripe

patents stripe