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: 2745
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]+	174.970446	126.2
[M+Na]+	196.952388	136.6
[M-H]-	172.955894	130.0
[M+NH4]+	191.996993	147.3
[M+K]+	212.926328	130.9
[M+H-H2O]+	156.960430	121.2
[M+HCOO]-	218.961371	134.2
[M+CH3COO]-	232.977021	179.7
[M+Na-2H]-	194.937836	127.1
[M]+	173.96262142	127.8
[M]-	173.96371858	127.8

Literature stripe

literature stripe

Patent stripe

patents stripe