CID 726991

(s)-(-)-1,1-diphenyl-1,2-propanediol cyclic sulfite

Structural Information

Molecular Formula
C15H14O3S
SMILES
C[C@H]1C(OS(=O)O1)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C15H14O3S/c1-12-15(18-19(16)17-12,13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-12H,1H3/t12-,19?/m0/s1
InChIKey
ACONWRLGPDTDKX-HSLMYDHPSA-N
Compound name
(5S)-5-methyl-4,4-diphenyl-1,3,2-dioxathiolane 2-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.06638 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.07366 157.6
[M+Na]+ 297.05560 172.2
[M+NH4]+ 292.10020 168.4
[M+K]+ 313.02954 163.3
[M-H]- 273.05910 166.3
[M+Na-2H]- 295.04105 167.5
[M]+ 274.06583 163.0
[M]- 274.06693 163.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.