CID 697191

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

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

53
Patents

167.99934 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.00662 128.0
[M+Na]+ 190.98856 141.0
[M-H]- 166.99206 134.1
[M+NH4]+ 186.03316 147.2
[M+K]+ 206.96250 140.0
[M+H-H2O]+ 150.99660 123.0
[M+HCOO]- 212.99754 148.1
[M+CH3COO]- 227.01319 143.6
[M+Na-2H]- 188.97401 132.4
[M]+ 167.99879 132.6
[M]- 167.99989 132.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe