CID 474206

3-(2-sulfanylpropylsulfanyl)propane-1,2-dithiol

Structural Information

Molecular Formula
C6H14S4
SMILES
CC(CSCC(CS)S)S
InChI
InChI=1S/C6H14S4/c1-5(8)3-10-4-6(9)2-7/h5-9H,2-4H2,1H3
InChIKey
TXOKWWCWTMUGBR-UHFFFAOYSA-N
Compound name
3-(2-sulfanylpropylsulfanyl)propane-1,2-dithiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

111
Patents

213.99783 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.00511 141.0
[M+Na]+ 236.98705 146.4
[M-H]- 212.99055 139.0
[M+NH4]+ 232.03165 158.5
[M+K]+ 252.96099 139.7
[M+H-H2O]+ 196.99509 134.8
[M+HCOO]- 258.99603 138.2
[M+CH3COO]- 273.01168 190.4
[M+Na-2H]- 234.97250 137.9
[M]+ 213.99728 140.3
[M]- 213.99838 140.3
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

patents stripe