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

3684
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

literature stripe

Patent stripe

patents stripe