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

274
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 146.8
[M+Na]+ 247.00692 154.8
[M-H]- 223.01042 146.8
[M+NH4]+ 242.05152 165.1
[M+K]+ 262.98086 150.3
[M+H-H2O]+ 207.01496 141.9
[M+HCOO]- 269.01590 157.8
[M+CH3COO]- 283.03155 182.3
[M+Na-2H]- 244.99237 149.1
[M]+ 224.01715 151.3
[M]- 224.01825 151.3
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

patents stripe