CID 305569

1,1-bis(phenylsulfonyl)ethylene

Structural Information

Molecular Formula
C14H12O4S2
SMILES
C=C(S(=O)(=O)C1=CC=CC=C1)S(=O)(=O)C2=CC=CC=C2
InChI
InChI=1S/C14H12O4S2/c1-12(19(15,16)13-8-4-2-5-9-13)20(17,18)14-10-6-3-7-11-14/h2-11H,1H2
InChIKey
KABQEPJVQFXVIN-UHFFFAOYSA-N
Compound name
1-(benzenesulfonyl)ethenylsulfonylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

46
Patents

308.0177 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.02498 168.2
[M+Na]+ 331.00692 176.2
[M-H]- 307.01042 174.6
[M+NH4]+ 326.05152 182.8
[M+K]+ 346.98086 170.4
[M+H-H2O]+ 291.01496 161.5
[M+HCOO]- 353.01590 179.7
[M+CH3COO]- 367.03155 196.2
[M+Na-2H]- 328.99237 172.3
[M]+ 308.01715 170.7
[M]- 308.01825 170.7
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.