CID 160163

28519-50-8

Structural Information

Molecular Formula

C₇H₈O₂S₂

SMILES

CC1=CC=C(C=C1)S(=O)(=S)O

InChI

InChI=1S/C7H8O2S2/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3,(H,8,9,10)

InChIKey

SSBBQNOCGGHKJQ-UHFFFAOYSA-N

Compound name

hydroxy-(4-methylphenyl)-oxo-sulfanylidene-lambda6-sulfane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 2142
Patents: 187.99657 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]+	189.00385	137.8
[M+Na]+	210.98579	149.3
[M+NH4]+	206.03039	146.5
[M+K]+	226.95973	140.3
[M-H]-	186.98929	139.0
[M+Na-2H]-	208.97124	142.8
[M]+	187.99602	140.8
[M]-	187.99712	140.8

Literature stripe

literature stripe

Patent stripe

patents stripe