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: 16
Patents: 196.01067 Da
Monoisotopic Mass: 2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	197.01795	138.4
[M+Na]+	218.99989	151.6
[M+NH4]+	214.04449	146.2
[M+K]+	234.97383	145.4
[M-H]-	195.00339	140.8
[M+Na-2H]-	216.98534	144.7
[M]+	196.01012	141.3
[M]-	196.01122	141.3

Literature stripe

literature stripe

Patent stripe

patents stripe