CID 15596715

60345-53-1

Structural Information

Molecular Formula
C13H20O8S4
SMILES
C=CS(=O)(=O)CC(CS(=O)(=O)C=C)(CS(=O)(=O)C=C)CS(=O)(=O)C=C
InChI
InChI=1S/C13H20O8S4/c1-5-22(14,15)9-13(10-23(16,17)6-2,11-24(18,19)7-3)12-25(20,21)8-4/h5-8H,1-4,9-12H2
InChIKey
CFSGUMFOSQULCJ-UHFFFAOYSA-N
Compound name
1,3-bis(ethenylsulfonyl)-2,2-bis(ethenylsulfonylmethyl)propane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

452
Patents

432.0041 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.01138 181.1
[M+Na]+ 454.99332 188.7
[M+NH4]+ 450.03792 206.9
[M+K]+ 470.96726 198.8
[M-H]- 430.99682 202.3
[M+Na-2H]- 452.97877 205.5
[M]+ 432.00355 184.9
[M]- 432.00465 184.9
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