CID 257516

Bis(phenylsulfonyl) sulfide

Structural Information

Molecular Formula
C12H10O4S3
SMILES
C1=CC=C(C=C1)S(=O)(=O)SS(=O)(=O)C2=CC=CC=C2
InChI
InChI=1S/C12H10O4S3/c13-18(14,11-7-3-1-4-8-11)17-19(15,16)12-9-5-2-6-10-12/h1-10H
InChIKey
YQUSJUJNDKUWAM-UHFFFAOYSA-N
Compound name
benzenesulfonylsulfanylsulfonylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

241
Patents

313.97412 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.98140 171.0
[M+Na]+ 336.96334 179.5
[M-H]- 312.96684 176.3
[M+NH4]+ 332.00794 185.1
[M+K]+ 352.93728 172.0
[M+H-H2O]+ 296.97138 164.2
[M+HCOO]- 358.97232 178.1
[M+CH3COO]- 372.98797 195.8
[M+Na-2H]- 334.94879 175.6
[M]+ 313.97357 173.0
[M]- 313.97467 173.0
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