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

47
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

literature stripe

Patent stripe

patents stripe