CID 3035373

5-phenyl-1,3,4-thiadiazole-2-thiol

Structural Information

Molecular Formula

C₈H₆N₂S₂

SMILES

C1=CC=C(C=C1)C2=NNC(=S)S2

InChI

InChI=1S/C8H6N2S2/c11-8-10-9-7(12-8)6-4-2-1-3-5-6/h1-5H,(H,10,11)

InChIKey

ZTLMHGOWADYAHM-UHFFFAOYSA-N

Compound name

5-phenyl-3H-1,3,4-thiadiazole-2-thione

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 328
Patents: 193.99724 Da
Monoisotopic Mass: 2.6
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]+	195.00452	136.2
[M+Na]+	216.98646	149.6
[M+NH4]+	212.03106	145.8
[M+K]+	232.96040	140.4
[M-H]-	192.98996	139.6
[M+Na-2H]-	214.97191	143.5
[M]+	193.99669	140.0
[M]-	193.99779	140.0

Literature stripe

literature stripe

Patent stripe

patents stripe