CID 322033

S-(bis(phenylsulfonyl)methyl) benzenesulfonothioate

Structural Information

Molecular Formula
C19H16O6S4
SMILES
C1=CC=C(C=C1)S(=O)(=O)C(SS(=O)(=O)C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3
InChI
InChI=1S/C19H16O6S4/c20-27(21,16-10-4-1-5-11-16)19(28(22,23)17-12-6-2-7-13-17)26-29(24,25)18-14-8-3-9-15-18/h1-15,19H
InChIKey
VUUKLVXRKZGTIP-UHFFFAOYSA-N
Compound name
[benzenesulfonyl(benzenesulfonylsulfanyl)methyl]sulfonylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

467.98297 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 468.99025 214.6
[M+Na]+ 490.97219 220.1
[M-H]- 466.97569 219.8
[M+NH4]+ 486.01679 220.9
[M+K]+ 506.94613 210.2
[M+H-H2O]+ 450.98023 206.3
[M+HCOO]- 512.98117 214.1
[M+CH3COO]- 526.99682 220.5
[M+Na-2H]- 488.95764 221.1
[M]+ 467.98242 214.0
[M]- 467.98352 214.0
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.