CID 10154267

1,3,5-benzenetrithiol

Structural Information

Molecular Formula

C₆H₆S₃

SMILES

C1=C(C=C(C=C1S)S)S

InChI

InChI=1S/C6H6S3/c7-4-1-5(8)3-6(9)2-4/h1-3,7-9H

InChIKey

KXCKKUIJCYNZAE-UHFFFAOYSA-N

Compound name

benzene-1,3,5-trithiol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2910
Patents: 173.96317 Da
Monoisotopic Mass: 2.4
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]+	174.97045	128.8
[M+Na]+	196.95239	141.5
[M+NH4]+	191.99699	139.9
[M+K]+	212.92633	129.6
[M-H]-	172.95589	132.9
[M+Na-2H]-	194.93784	134.4
[M]+	173.96262	133.4
[M]-	173.96372	133.4

Literature stripe

literature stripe

Patent stripe

patents stripe