CID 80066

Disulfide, bis(phenylsulfonyl)

Structural Information

Molecular Formula
C12H10O4S4
SMILES
C1=CC=C(C=C1)S(=O)(=O)SSS(=O)(=O)C2=CC=CC=C2
InChI
InChI=1S/C12H10O4S4/c13-19(14,11-7-3-1-4-8-11)17-18-20(15,16)12-9-5-2-6-10-12/h1-10H
InChIKey
LTWQZHNNDVAERL-UHFFFAOYSA-N
Compound name
(benzenesulfonyldisulfanyl)sulfonylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

345.9462 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.95348 182.3
[M+Na]+ 368.93542 190.1
[M-H]- 344.93892 185.8
[M+NH4]+ 363.98002 194.3
[M+K]+ 384.90936 180.0
[M+H-H2O]+ 328.94346 175.2
[M+HCOO]- 390.94440 183.5
[M+CH3COO]- 404.96005 201.7
[M+Na-2H]- 366.92087 186.6
[M]+ 345.94565 181.7
[M]- 345.94675 181.7
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

patents stripe