CID 619483

4,4'-thiobisbenzenethiol

Structural Information

Molecular Formula
C12H10S3
SMILES
C1=CC(=CC=C1S)SC2=CC=C(C=C2)S
InChI
InChI=1S/C12H10S3/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8,13-14H
InChIKey
JLLMOYPIVVKFHY-UHFFFAOYSA-N
Compound name
4-(4-sulfanylphenyl)sulfanylbenzenethiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3456
Patents

249.99446 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.00174 146.4
[M+Na]+ 272.98368 156.5
[M-H]- 248.98718 152.7
[M+NH4]+ 268.02828 164.5
[M+K]+ 288.95762 148.7
[M+H-H2O]+ 232.99172 140.4
[M+HCOO]- 294.99266 154.8
[M+CH3COO]- 309.00831 158.5
[M+Na-2H]- 270.96913 147.7
[M]+ 249.99391 147.9
[M]- 249.99501 147.9
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.