CID 520409

1,2,4,5-tetrathiane

Structural Information

Molecular Formula
C2H4S4
SMILES
C1SSCSS1
InChI
InChI=1S/C2H4S4/c1-3-5-2-6-4-1/h1-2H2
InChIKey
VXTWQLLUXWBOGW-UHFFFAOYSA-N
Compound name
1,2,4,5-tetrathiane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

3
References

91
Patents

155.91959 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.92687 126.4
[M+Na]+ 178.90881 133.0
[M-H]- 154.91231 127.3
[M+NH4]+ 173.95341 145.9
[M+K]+ 194.88275 126.7
[M+H-H2O]+ 138.91685 121.4
[M+HCOO]- 200.91779 125.6
[M+CH3COO]- 214.93344 136.7
[M+Na-2H]- 176.89426 127.3
[M]+ 155.91904 119.8
[M]- 155.92014 119.8
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