CID 56911

95478-10-7

Structural Information

Molecular Formula

C₉H₁₀O₂S₂

SMILES

C1CS(=O)C(S1=O)C2=CC=CC=C2

InChI

InChI=1S/C9H10O2S2/c10-12-6-7-13(11)9(12)8-4-2-1-3-5-8/h1-5,9H,6-7H2

InChIKey

KJSUZGMJMPKXGP-UHFFFAOYSA-N

Compound name

2-phenyl-1,3-dithiolane 1,3-dioxide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 214.01222 Da
Monoisotopic Mass: 0.0
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]+	215.01950	142.5
[M+Na]+	237.00144	154.0
[M+NH4]+	232.04604	152.3
[M+K]+	252.97538	145.4
[M-H]-	213.00494	146.3
[M+Na-2H]-	234.98689	148.2
[M]+	214.01167	146.1
[M]-	214.01277	146.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.