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]+ 210.03318 142.0
[M+Na]+ 232.01512 152.6
[M-H]- 208.01862 146.3
[M+NH4]+ 227.05972 158.5
[M+K]+ 247.98906 149.2
[M+H-H2O]+ 192.02316 135.4
[M+HCOO]- 254.02410 158.9
[M+CH3COO]- 268.03975 155.0
[M+Na-2H]- 230.00057 144.1
[M]+ 209.02535 142.1
[M]- 209.02645 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.