CID 10887882

75849-83-1

Structural Information

Molecular Formula

C₂H₂N₂S₂

SMILES

C1=NNSC1=S

InChI

InChI=1S/C2H2N2S2/c5-2-1-3-4-6-2/h1,4H

InChIKey

QFCSRTHGBBTPLC-UHFFFAOYSA-N

Compound name

2H-thiadiazole-5-thione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 272
Patents: 117.96594 Da
Monoisotopic Mass: 1.1
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