CID 135704458

22706-16-7

Structural Information

Molecular Formula
C8H8N4OS
SMILES
C1=CC(=CC=C1C2=NNC(=S)N2N)O
InChI
InChI=1S/C8H8N4OS/c9-12-7(10-11-8(12)14)5-1-3-6(13)4-2-5/h1-4,13H,9H2,(H,11,14)
InChIKey
UIOJHWGJJIFRAT-UHFFFAOYSA-N
Compound name
4-amino-3-(4-hydroxyphenyl)-1H-1,2,4-triazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

208.04189 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.04917 142.6
[M+Na]+ 231.03111 154.5
[M+NH4]+ 226.07571 149.4
[M+K]+ 247.00505 149.4
[M-H]- 207.03461 144.0
[M+Na-2H]- 229.01656 148.3
[M]+ 208.04134 144.8
[M]- 208.04244 144.8
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