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 191.5
[M+Na]+ 421.07502 196.1
[M-H]- 397.07852 196.8
[M+NH4]+ 416.11962 202.0
[M+K]+ 437.04896 192.1
[M+H-H2O]+ 381.08306 183.5
[M+HCOO]- 443.08400 200.8
[M+CH3COO]- 457.09965 213.5
[M+Na-2H]- 419.06047 193.9
[M]+ 398.08525 198.1
[M]- 398.08635 198.1
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.