CID 213158

25635-58-9

Structural Information

Molecular Formula
C7H4O3S5
SMILES
C1=C(SC(=C1)S(=O)(=O)O)C2=CC(=S)SS2
InChI
InChI=1S/C7H4O3S5/c8-15(9,10)7-2-1-4(12-7)5-3-6(11)14-13-5/h1-3H,(H,8,9,10)
InChIKey
KSMAUAMDISUKFH-UHFFFAOYSA-N
Compound name
5-(5-sulfanylidenedithiol-3-yl)thiophene-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.8764 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.88368 176.2
[M+Na]+ 318.86562 188.9
[M-H]- 294.86912 179.6
[M+NH4]+ 313.91022 193.1
[M+K]+ 334.83956 177.7
[M+H-H2O]+ 278.87366 172.5
[M+HCOO]- 340.87460 175.2
[M+CH3COO]- 354.89025 185.2
[M+Na-2H]- 316.85107 176.0
[M]+ 295.87585 174.1
[M]- 295.87695 174.1
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.