CID 12579750

3,6-diethyl-1,2,4,5-tetrathiane

Structural Information

Molecular Formula
C6H12S4
SMILES
CCC1SSC(SS1)CC
InChI
InChI=1S/C6H12S4/c1-3-5-7-9-6(4-2)10-8-5/h5-6H,3-4H2,1-2H3
InChIKey
WASBDGZBDGMWMT-UHFFFAOYSA-N
Compound name
3,6-diethyl-1,2,4,5-tetrathiane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

211.98218 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.98946 133.3
[M+Na]+ 234.97140 141.9
[M+NH4]+ 230.01600 143.8
[M+K]+ 250.94534 129.9
[M-H]- 210.97490 136.7
[M+Na-2H]- 232.95685 135.6
[M]+ 211.98163 137.3
[M]- 211.98273 137.3
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