CID 247419

95316-36-2

Structural Information

Molecular Formula
C18H22O6S2
SMILES
CS(=O)(=O)OCC(COS(=O)(=O)C)C(C1=CC=CC=C1)C2=CC=CC=C2
InChI
InChI=1S/C18H22O6S2/c1-25(19,20)23-13-17(14-24-26(2,21)22)18(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17-18H,13-14H2,1-2H3
InChIKey
RORUJFOEXOGGSL-UHFFFAOYSA-N
Compound name
[2-(methylsulfonyloxymethyl)-3,3-diphenylpropyl] methanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

398.0858 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.09308 187.5
[M+Na]+ 421.07502 196.8
[M+NH4]+ 416.11962 192.6
[M+K]+ 437.04896 189.4
[M-H]- 397.07852 187.9
[M+Na-2H]- 419.06047 193.2
[M]+ 398.08525 189.8
[M]- 398.08635 189.8
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.