CID 241854

S-phenyl diphenylmethanesulfonothioate

Structural Information

Molecular Formula
C19H16O2S2
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)S(=O)(=O)SC3=CC=CC=C3
InChI
InChI=1S/C19H16O2S2/c20-23(21,22-18-14-8-3-9-15-18)19(16-10-4-1-5-11-16)17-12-6-2-7-13-17/h1-15,19H
InChIKey
YFTDQHDZZPFMEM-UHFFFAOYSA-N
Compound name
[phenyl(phenylsulfanylsulfonyl)methyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.05917 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.06645 177.4
[M+Na]+ 363.04839 184.4
[M-H]- 339.05189 186.3
[M+NH4]+ 358.09299 190.7
[M+K]+ 379.02233 177.3
[M+H-H2O]+ 323.05643 169.3
[M+HCOO]- 385.05737 189.5
[M+CH3COO]- 399.07302 187.5
[M+Na-2H]- 361.03384 180.5
[M]+ 340.05862 178.8
[M]- 340.05972 178.8
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.