CID 19385

3687-07-8

Structural Information

Molecular Formula
C8H7N3O2S
SMILES
C1=CC(=C(C=C1N)O)C2N=NC(=S)O2
InChI
InChI=1S/C8H7N3O2S/c9-4-1-2-5(6(12)3-4)7-10-11-8(14)13-7/h1-3,7,12H,9H2
InChIKey
SJWGKGMORFMYKH-UHFFFAOYSA-N
Compound name
2-(4-amino-2-hydroxyphenyl)-2H-1,3,4-oxadiazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.0259 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.033176 142.0
[M+Na]+ 232.015118 152.6
[M-H]- 208.018624 146.3
[M+NH4]+ 227.059723 158.5
[M+K]+ 247.989058 149.2
[M+H-H2O]+ 192.023160 135.4
[M+HCOO]- 254.024101 158.9
[M+CH3COO]- 268.039751 155.0
[M+Na-2H]- 230.000566 144.1
[M]+ 209.02535142 142.1
[M]- 209.02644858 142.1
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.