CID 5072300

1,3-bis(vinylsulfonyl)propane

Structural Information

Molecular Formula
C7H12O4S2
SMILES
C=CS(=O)(=O)CCCS(=O)(=O)C=C
InChI
InChI=1S/C7H12O4S2/c1-3-12(8,9)6-5-7-13(10,11)4-2/h3-4H,1-2,5-7H2
InChIKey
IJHAYXRIEZHHSC-UHFFFAOYSA-N
Compound name
1,3-bis(ethenylsulfonyl)propane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

243
Patents

224.0177 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.02498 154.1
[M+Na]+ 247.00692 161.3
[M+NH4]+ 242.05152 159.2
[M+K]+ 262.98086 154.0
[M-H]- 223.01042 150.1
[M+Na-2H]- 244.99237 153.7
[M]+ 224.01715 154.6
[M]- 224.01825 154.6
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