CID 2744280

5-(4-chlorophenyl)-1,3-oxazole-2-thiol

Structural Information

Molecular Formula
C9H6ClNOS
SMILES
C1=CC(=CC=C1C2=CNC(=S)O2)Cl
InChI
InChI=1S/C9H6ClNOS/c10-7-3-1-6(2-4-7)8-5-11-9(13)12-8/h1-5H,(H,11,13)
InChIKey
WRHYNFLKUOROFK-UHFFFAOYSA-N
Compound name
5-(4-chlorophenyl)-3H-1,3-oxazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

23
Patents

210.98586 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.99314 141.2
[M+Na]+ 233.97508 156.3
[M+NH4]+ 229.01968 150.8
[M+K]+ 249.94902 148.7
[M-H]- 209.97858 146.0
[M+Na-2H]- 231.96053 148.7
[M]+ 210.98531 145.6
[M]- 210.98641 145.6
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