CID 75039

2125-34-0

Structural Information

Molecular Formula

C₃H₆O₆S₃

SMILES

C1S(=O)(=O)CS(=O)(=O)CS1(=O)=O

InChI

InChI=1S/C3H6O6S3/c4-10(5)1-11(6,7)3-12(8,9)2-10/h1-3H2

InChIKey

DNVUITIVPMGLBU-UHFFFAOYSA-N

Compound name

1,3,5-trithiane 1,1,3,3,5,5-hexaoxide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 223
Patents: 233.93265 Da
Monoisotopic Mass: -1.6
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]+	234.93993	144.7
[M+Na]+	256.92187	152.2
[M+NH4]+	251.96647	154.5
[M+K]+	272.89581	139.5
[M-H]-	232.92537	143.0
[M+Na-2H]-	254.90732	150.9
[M]+	233.93210	146.7
[M]-	233.93320	146.7

Literature stripe

literature stripe

Patent stripe

patents stripe