CID 520423

1,2,4,6-tetrathiepane

Structural Information

Molecular Formula
C3H6S4
SMILES
C1SCSSCS1
InChI
InChI=1S/C3H6S4/c1-4-2-6-7-3-5-1/h1-3H2
InChIKey
LCABDMYFXTZXMI-UHFFFAOYSA-N
Compound name
1,2,4,6-tetrathiepane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

58
Patents

169.93524 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.942516 141.6
[M+Na]+ 192.924458 143.2
[M-H]- 168.927964 142.3
[M+NH4]+ 187.969063 157.9
[M+K]+ 208.898398 141.9
[M+H-H2O]+ 152.932500 135.7
[M+HCOO]- 214.933441 139.3
[M+CH3COO]- 228.949091 149.2
[M+Na-2H]- 190.909906 139.3
[M]+ 169.93469142 131.3
[M]- 169.93578858 131.3
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