CID 356894

Nsc614445

Structural Information

Molecular Formula
C8H7N3OS
SMILES
C1=CC=C(C(=C1)C2=NN=C(O2)N)S
InChI
InChI=1S/C8H7N3OS/c9-8-11-10-7(12-8)5-3-1-2-4-6(5)13/h1-4,13H,(H2,9,11)
InChIKey
AXXNLUJQRQILLI-UHFFFAOYSA-N
Compound name
2-(5-amino-1,3,4-oxadiazol-2-yl)benzenethiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.03099 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.03827 137.2
[M+Na]+ 216.02021 148.4
[M-H]- 192.02371 142.9
[M+NH4]+ 211.06481 155.1
[M+K]+ 231.99415 145.8
[M+H-H2O]+ 176.02825 130.2
[M+HCOO]- 238.02919 156.7
[M+CH3COO]- 252.04484 151.4
[M+Na-2H]- 214.00566 141.2
[M]+ 193.03044 139.4
[M]- 193.03154 139.4
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

No patent data available for this compound.