CID 697191

13239-11-7

Structural Information

Molecular Formula

C₆H₄N₂O₂S

SMILES

C1=COC(=C1)C2=NNC(=S)O2

InChI

InChI=1S/C6H4N2O2S/c11-6-8-7-5(10-6)4-2-1-3-9-4/h1-3H,(H,8,11)

InChIKey

UUBKWODOINKONV-UHFFFAOYSA-N

Compound name

5-(furan-2-yl)-3H-1,3,4-oxadiazole-2-thione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 52
Patents: 167.99934 Da
Monoisotopic Mass: 1.4
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]+	169.00662	129.8
[M+Na]+	190.98856	143.0
[M+NH4]+	186.03316	137.8
[M+K]+	206.96250	140.0
[M-H]-	166.99206	133.9
[M+Na-2H]-	188.97401	135.7
[M]+	167.99879	133.2
[M]-	167.99989	133.2

Literature stripe

literature stripe

Patent stripe

patents stripe