CID 674155

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

Structural Information

Molecular Formula
C8H5FN2OS
SMILES
C1=CC(=CC=C1C2=NNC(=S)O2)F
InChI
InChI=1S/C8H5FN2OS/c9-6-3-1-5(2-4-6)7-10-11-8(13)12-7/h1-4H,(H,11,13)
InChIKey
XKMWJXQWLNRDRC-UHFFFAOYSA-N
Compound name
5-(4-fluorophenyl)-3H-1,3,4-oxadiazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

17
Patents

196.01067 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.01795 134.7
[M+Na]+ 218.99989 146.7
[M-H]- 195.00339 138.2
[M+NH4]+ 214.04449 152.4
[M+K]+ 234.97383 142.8
[M+H-H2O]+ 179.00793 127.5
[M+HCOO]- 241.00887 151.5
[M+CH3COO]- 255.02452 148.5
[M+Na-2H]- 216.98534 138.1
[M]+ 196.01012 135.1
[M]- 196.01122 135.1
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