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 158.7
[M+Na]+ 297.05560 168.2
[M-H]- 273.05910 170.7
[M+NH4]+ 292.10020 176.7
[M+K]+ 313.02954 166.8
[M+H-H2O]+ 257.06364 152.9
[M+HCOO]- 319.06458 176.7
[M+CH3COO]- 333.08023 172.4
[M+Na-2H]- 295.04105 162.7
[M]+ 274.06583 161.9
[M]- 274.06693 161.9
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.