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 139.7
[M+Na]+ 234.97140 145.8
[M-H]- 210.97490 140.4
[M+NH4]+ 230.01600 157.6
[M+K]+ 250.94534 138.5
[M+H-H2O]+ 194.97944 134.2
[M+HCOO]- 256.98038 137.5
[M+CH3COO]- 270.99603 186.5
[M+Na-2H]- 232.95685 138.2
[M]+ 211.98163 135.0
[M]- 211.98273 135.0
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