CID 6371710

858971-43-4

Structural Information

Molecular Formula

C₁₄H₁₄O₂S₂

SMILES

C1=CC=C(C=C1)S(=O)CCS(=O)C2=CC=CC=C2

InChI

InChI=1S/C14H14O2S2/c15-17(13-7-3-1-4-8-13)11-12-18(16)14-9-5-2-6-10-14/h1-10H,11-12H2

InChIKey

CSZMCUCIIIAHQD-UHFFFAOYSA-N

Compound name

2-(benzenesulfinyl)ethylsulfinylbenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 653
Patents: 278.04352 Da
Monoisotopic Mass: 1.7
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]+	279.05080	155.9
[M+Na]+	301.03274	168.9
[M+NH4]+	296.07734	165.1
[M+K]+	317.00668	158.0
[M-H]-	277.03624	160.4
[M+Na-2H]-	299.01819	164.3
[M]+	278.04297	160.1
[M]-	278.04407	160.1

Literature stripe

literature stripe

Patent stripe

patents stripe