CID 76948

Bis(phenylsulfonyl)methane

Structural Information

Molecular Formula
C13H12O4S2
SMILES
C1=CC=C(C=C1)S(=O)(=O)CS(=O)(=O)C2=CC=CC=C2
InChI
InChI=1S/C13H12O4S2/c14-18(15,12-7-3-1-4-8-12)11-19(16,17)13-9-5-2-6-10-13/h1-10H,11H2
InChIKey
QCHNSJNRFSOCLJ-UHFFFAOYSA-N
Compound name
benzenesulfonylmethylsulfonylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

17
References

3229
Patents

296.0177 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.02498 163.9
[M+Na]+ 319.00692 176.0
[M+NH4]+ 314.05152 171.3
[M+K]+ 334.98086 166.8
[M-H]- 295.01042 166.1
[M+Na-2H]- 316.99237 171.7
[M]+ 296.01715 167.3
[M]- 296.01825 167.3
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