CID 726991

51226-54-1

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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	275.073656	158.7
[M+Na]+	297.055598	168.2
[M-H]-	273.059104	170.7
[M+NH4]+	292.100203	176.7
[M+K]+	313.029538	166.8
[M+H-H2O]+	257.063640	152.9
[M+HCOO]-	319.064581	176.7
[M+CH3COO]-	333.080231	172.4
[M+Na-2H]-	295.041046	162.7
[M]+	274.06583142	161.9
[M]-	274.06692858	161.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.