CID 6371710

6099-21-4

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: 627
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]+	279.050796	159.2
[M+Na]+	301.032738	166.0
[M-H]-	277.036244	165.3
[M+NH4]+	296.077343	175.3
[M+K]+	317.006678	160.5
[M+H-H2O]+	261.040780	152.1
[M+HCOO]-	323.041721	171.6
[M+CH3COO]-	337.057371	194.6
[M+Na-2H]-	299.018186	160.2
[M]+	278.04297142	161.5
[M]-	278.04406858	161.5

Literature stripe

literature stripe

Patent stripe

patents stripe