CID 3082127

5-(4-hydroxyphenyl)-3h-1,2-dithiole-3-thione

Structural Information

Molecular Formula
C9H6OS3
SMILES
C1=CC(=CC=C1C2=CC(=S)SS2)O
InChI
InChI=1S/C9H6OS3/c10-7-3-1-6(2-4-7)8-5-9(11)13-12-8/h1-5,10H
InChIKey
IWBBKLMHAILHAR-UHFFFAOYSA-N
Compound name
5-(4-hydroxyphenyl)dithiole-3-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

20
References

310
Patents

225.95808 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.96536 143.0
[M+Na]+ 248.94730 154.5
[M-H]- 224.95080 148.7
[M+NH4]+ 243.99190 163.2
[M+K]+ 264.92124 146.9
[M+H-H2O]+ 208.95534 138.5
[M+HCOO]- 270.95628 152.1
[M+CH3COO]- 284.97193 155.8
[M+Na-2H]- 246.93275 142.7
[M]+ 225.95753 143.8
[M]- 225.95863 143.8
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