CID 79798

Thiosulfuric acid (h2s2o3), ss,ss'-1,6-hexanediyl ester, sodium salt (1:2)

Structural Information

Molecular Formula
C6H14O6S4
SMILES
C(CCCSS(=O)(=O)O)CCSS(=O)(=O)O
InChI
InChI=1S/C6H14O6S4/c7-15(8,9)13-5-3-1-2-4-6-14-16(10,11)12/h1-6H2,(H,7,8,9)(H,10,11,12)
InChIKey
YLDBBIBJAUAZLM-UHFFFAOYSA-N
Compound name
1,6-bis(sulfosulfanyl)hexane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

358
Patents

309.96732 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.97460 170.5
[M+Na]+ 332.95654 174.4
[M-H]- 308.96004 164.4
[M+NH4]+ 328.00114 181.7
[M+K]+ 348.93048 165.0
[M+H-H2O]+ 292.96458 163.9
[M+HCOO]- 354.96552 166.7
[M+CH3COO]- 368.98117 192.6
[M+Na-2H]- 330.94199 171.8
[M]+ 309.96677 170.8
[M]- 309.96787 170.8
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