CID 4460387

1,3-dithiane, 1,3-dioxide

Structural Information

Molecular Formula

C₄H₈O₂S₂

SMILES

C1CS(=O)CS(=O)C1

InChI

InChI=1S/C4H8O2S2/c5-7-2-1-3-8(6)4-7/h1-4H2

InChIKey

GAGUHQWNDGBDCG-UHFFFAOYSA-N

Compound name

1,3-dithiane 1,3-dioxide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 42
Patents: 151.99657 Da
Monoisotopic Mass: -1.3
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]+	153.00385	126.1
[M+Na]+	174.98579	136.3
[M+NH4]+	170.03039	135.7
[M+K]+	190.95973	127.3
[M-H]-	150.98929	128.0
[M+Na-2H]-	172.97124	130.0
[M]+	151.99602	128.9
[M]-	151.99712	128.9

Literature stripe

literature stripe

Patent stripe

patents stripe