CID 13142208

3-(5-amino-1,3,4-thiadiazol-2-yl)phenol

Structural Information

Molecular Formula
C8H7N3OS
SMILES
C1=CC(=CC(=C1)O)C2=NN=C(S2)N
InChI
InChI=1S/C8H7N3OS/c9-8-11-10-7(13-8)5-2-1-3-6(12)4-5/h1-4,12H,(H2,9,11)
InChIKey
FQUOYEHJJRUIQC-UHFFFAOYSA-N
Compound name
3-(5-amino-1,3,4-thiadiazol-2-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

193.03099 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.03827 137.8
[M+Na]+ 216.02021 150.1
[M+NH4]+ 211.06481 146.2
[M+K]+ 231.99415 144.4
[M-H]- 192.02371 140.8
[M+Na-2H]- 214.00566 145.1
[M]+ 193.03044 140.7
[M]- 193.03154 140.7
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

patents stripe