CID 1810543

17654-88-5

Structural Information

Molecular Formula
C8H6N2S3
SMILES
C1=CC=C(C=C1)N2C(=S)SC(=S)N2
InChI
InChI=1S/C8H6N2S3/c11-7-9-10(8(12)13-7)6-4-2-1-3-5-6/h1-5H,(H,9,11)
InChIKey
JRFUIXXCQSIOEB-UHFFFAOYSA-N
Compound name
3-phenyl-1,3,4-thiadiazolidine-2,5-dithione
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

5
References

241
Patents

225.96931 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.97659 141.2
[M+Na]+ 248.95853 154.1
[M-H]- 224.96203 144.6
[M+NH4]+ 244.00313 159.2
[M+K]+ 264.93247 145.4
[M+H-H2O]+ 208.96657 136.1
[M+HCOO]- 270.96751 148.5
[M+CH3COO]- 284.98316 153.5
[M+Na-2H]- 246.94398 140.7
[M]+ 225.96876 140.6
[M]- 225.96986 140.6
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.