CID 305489

Benzene, 1,1'-[(1z)-1,2-ethenediylbis(sulfonyl)]bis-

Structural Information

Molecular Formula
C14H12O4S2
SMILES
C1=CC=C(C=C1)S(=O)(=O)C=CS(=O)(=O)C2=CC=CC=C2
InChI
InChI=1S/C14H12O4S2/c15-19(16,13-7-3-1-4-8-13)11-12-20(17,18)14-9-5-2-6-10-14/h1-12H
InChIKey
YGBXMKGCEHIWMO-UHFFFAOYSA-N
Compound name
2-(benzenesulfonyl)ethenylsulfonylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

166
Patents

308.0177 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.02498 169.4
[M+Na]+ 331.00692 177.9
[M-H]- 307.01042 175.8
[M+NH4]+ 326.05152 184.2
[M+K]+ 346.98086 171.6
[M+H-H2O]+ 291.01496 162.6
[M+HCOO]- 353.01590 182.0
[M+CH3COO]- 367.03155 194.8
[M+Na-2H]- 328.99237 174.3
[M]+ 308.01715 172.3
[M]- 308.01825 172.3
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.