CID 716470

5-(4-aminophenyl)-1,3,4-oxadiazole-2-thiol

Structural Information

Molecular Formula
C8H7N3OS
SMILES
C1=CC(=CC=C1C2=NNC(=S)O2)N
InChI
InChI=1S/C8H7N3OS/c9-6-3-1-5(2-4-6)7-10-11-8(13)12-7/h1-4H,9H2,(H,11,13)
InChIKey
FIGMOSDEYMCQLX-UHFFFAOYSA-N
Compound name
5-(4-aminophenyl)-3H-1,3,4-oxadiazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

38
Patents

193.03099 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.038266 137.5
[M+Na]+ 216.020208 148.4
[M-H]- 192.023714 141.8
[M+NH4]+ 211.064813 154.6
[M+K]+ 231.994148 144.3
[M+H-H2O]+ 176.028250 130.8
[M+HCOO]- 238.029191 155.6
[M+CH3COO]- 252.044841 150.9
[M+Na-2H]- 214.005656 141.0
[M]+ 193.03044142 137.2
[M]- 193.03153858 137.2
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