CID 6428768

1,2,3,5,6,8-hexathionane

Structural Information

Molecular Formula
C3H6S6
SMILES
C1SCSSSCSS1
InChI
InChI=1S/C3H6S6/c1-4-2-7-9-8-3-6-5-1/h1-3H2
InChIKey
ZOJCTXCAPUGEKN-UHFFFAOYSA-N
Compound name
1,2,3,5,6,8-hexathionane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

15
Patents

233.87938 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.886656 192.8
[M+Na]+ 256.868598 195.0
[M-H]- 232.872104 193.1
[M+NH4]+ 251.913203 193.3
[M+K]+ 272.842538 193.3
[M+H-H2O]+ 216.876640 186.7
[M+HCOO]- 278.877581 194.0
[M+CH3COO]- 292.893231 194.6
[M+Na-2H]- 254.854046 195.6
[M]+ 233.87883142 193.6
[M]- 233.87992858 193.6
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