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

518
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 207.1
[M+Na]+ 454.99332 209.9
[M-H]- 430.99682 202.5
[M+NH4]+ 450.03792 188.3
[M+K]+ 470.96726 199.1
[M+H-H2O]+ 415.00136 199.7
[M+HCOO]- 477.00230 202.8
[M+CH3COO]- 491.01795 214.3
[M+Na-2H]- 452.97877 212.1
[M]+ 432.00355 208.4
[M]- 432.00465 208.4
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