CID 123186

1,2,3-trithiane

Structural Information

Molecular Formula

C₃H₆S₃

SMILES

C1CSSSC1

InChI

InChI=1S/C3H6S3/c1-2-4-6-5-3-1/h1-3H2

InChIKey

BVOMRRWJQOJMPA-UHFFFAOYSA-N

Compound name

trithiane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 3204
Patents: 137.96317 Da
Monoisotopic Mass: 1.5
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]+	138.97045	117.5
[M+Na]+	160.95239	127.2
[M+NH4]+	155.99699	128.8
[M+K]+	176.92633	116.2
[M-H]-	136.95589	121.0
[M+Na-2H]-	158.93784	122.1
[M]+	137.96262	121.2
[M]-	137.96372	121.2

Literature stripe

literature stripe

Patent stripe

patents stripe