CID 520409

1,2,4,5-tetrathiane

Structural Information

Molecular Formula

C₂H₄S₄

SMILES

C1SSCSS1

InChI

InChI=1S/C2H4S4/c1-3-5-2-6-4-1/h1-2H2

InChIKey

VXTWQLLUXWBOGW-UHFFFAOYSA-N

Compound name

1,2,4,5-tetrathiane

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 3
References: 98
Patents: 155.91959 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]+	156.926866	126.4
[M+Na]+	178.908808	133.0
[M-H]-	154.912314	127.3
[M+NH4]+	173.953413	145.9
[M+K]+	194.882748	126.7
[M+H-H2O]+	138.916850	121.4
[M+HCOO]-	200.917791	125.6
[M+CH3COO]-	214.933441	136.7
[M+Na-2H]-	176.894256	127.3
[M]+	155.91904142	119.8
[M]-	155.92013858	119.8

Literature stripe

literature stripe

Patent stripe

patents stripe