CID 280752

Nsc132881

Structural Information

Molecular Formula
C9H16O8S4
SMILES
C1CS(=O)(=O)C(S(=O)(=O)C1)CC2S(=O)(=O)CCCS2(=O)=O
InChI
InChI=1S/C9H16O8S4/c10-18(11)3-1-4-19(12,13)8(18)7-9-20(14,15)5-2-6-21(9,16)17/h8-9H,1-7H2
InChIKey
VCAKSRAHIFJXFJ-UHFFFAOYSA-N
Compound name
2-[(1,1,3,3-tetraoxo-1,3-dithian-2-yl)methyl]-1,3-dithiane 1,1,3,3-tetraoxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.9728 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.98008 171.8
[M+Na]+ 402.96202 177.0
[M-H]- 378.96552 172.3
[M+NH4]+ 398.00662 188.0
[M+K]+ 418.93596 170.7
[M+H-H2O]+ 362.97006 169.7
[M+HCOO]- 424.97100 168.6
[M+CH3COO]- 438.98665 204.4
[M+Na-2H]- 400.94747 181.3
[M]+ 379.97225 171.3
[M]- 379.97335 171.3
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

No patent data available for this compound.