CID 491

Trithionate

Structural Information

Molecular Formula
O6S3
SMILES
[O-]S(=O)(=O)SS(=O)(=O)[O-]
InChI
InChI=1S/H2O6S3/c1-8(2,3)7-9(4,5)6/h(H,1,2,3)(H,4,5,6)/p-2
InChIKey
KRURGYOKPVLRHQ-UHFFFAOYSA-L
Compound name
None
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

7
References

514
Patents

191.8857 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.89298 141.0
[M+Na]+ 214.87492 148.3
[M-H]- 190.87842 137.7
[M+NH4]+ 209.91952 157.5
[M+K]+ 230.84886 144.7
[M+H-H2O]+ 174.88296 139.9
[M+HCOO]- 236.88390 146.6
[M+CH3COO]- 250.89955 168.8
[M+Na-2H]- 212.86037 143.5
[M]+ 191.88515 139.7
[M]- 191.88625 139.7
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