CID 3271822

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

Structural Information

Molecular Formula
C8H6N2OS
SMILES
C1=CC=C(C=C1)C2=NC(=S)ON2
InChI
InChI=1S/C8H6N2OS/c12-8-9-7(10-11-8)6-4-2-1-3-5-6/h1-5H,(H,9,10,12)
InChIKey
KLUJJBZDBBYZEJ-UHFFFAOYSA-N
Compound name
3-phenyl-2H-1,2,4-oxadiazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
Patents

178.02008 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.02736 134.0
[M+Na]+ 201.00930 148.1
[M+NH4]+ 196.05390 142.7
[M+K]+ 216.98324 141.6
[M-H]- 177.01280 138.0
[M+Na-2H]- 198.99475 141.5
[M]+ 178.01953 137.6
[M]- 178.02063 137.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe