CID 2734812

1887-29-2

Structural Information

Molecular Formula

C₆H₆O₂S₂

SMILES

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

InChI

InChI=1S/C6H6O2S2/c7-10(8,9)6-4-2-1-3-5-6/h1-5H,(H,7,8,9)

InChIKey

AKCUHGBLDXXTOM-UHFFFAOYSA-N

Compound name

hydroxy-oxo-phenyl-sulfanylidene-lambda6-sulfane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 5406
Patents: 173.98093 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]+	174.98821	133.2
[M+Na]+	196.97015	144.5
[M+NH4]+	192.01475	142.0
[M+K]+	212.94409	135.6
[M-H]-	172.97365	134.4
[M+Na-2H]-	194.95560	138.6
[M]+	173.98038	136.1
[M]-	173.98148	136.1

Literature stripe

literature stripe

Patent stripe

patents stripe