CID 3034302

1,3,4-thiadiazole-2(3h)-thione

Structural Information

Molecular Formula

C₂H₂N₂S₂

SMILES

C1=NNC(=S)S1

InChI

InChI=1S/C2H2N2S2/c5-2-4-3-1-6-2/h1H,(H,4,5)

InChIKey

JLAMDELLBBZOOX-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 13
References: 3322
Patents: 117.96594 Da
Monoisotopic Mass: 0.9
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]+	118.97322	115.5
[M+Na]+	140.95516	127.0
[M-H]-	116.95866	116.1
[M+NH4]+	135.99976	137.5
[M+K]+	156.92910	123.3
[M+H-H2O]+	100.96320	110.4
[M+HCOO]-	162.96414	128.4
[M+CH3COO]-	176.97979	129.7
[M+Na-2H]-	138.94061	117.7
[M]+	117.96539	115.3
[M]-	117.96649	115.3

Literature stripe

literature stripe

Patent stripe

patents stripe