CID 69036

1,2-bis(phenylsulfonyl)ethane

Structural Information

Molecular Formula
C14H14O4S2
SMILES
C1=CC=C(C=C1)S(=O)(=O)CCS(=O)(=O)C2=CC=CC=C2
InChI
InChI=1S/C14H14O4S2/c15-19(16,13-7-3-1-4-8-13)11-12-20(17,18)14-9-5-2-6-10-14/h1-10H,11-12H2
InChIKey
ULELOBVZIKJPAC-UHFFFAOYSA-N
Compound name
2-(benzenesulfonyl)ethylsulfonylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

55
Patents

310.03336 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.04064 169.6
[M+Na]+ 333.02258 177.7
[M-H]- 309.02608 175.9
[M+NH4]+ 328.06718 184.3
[M+K]+ 348.99652 172.0
[M+H-H2O]+ 293.03062 162.6
[M+HCOO]- 355.03156 182.0
[M+CH3COO]- 369.04721 196.2
[M+Na-2H]- 331.00803 174.5
[M]+ 310.03281 173.3
[M]- 310.03391 173.3
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.