CID 12230876

5-phenyl-1,3-oxazole-2-thiol

Structural Information

Molecular Formula
C9H7NOS
SMILES
C1=CC=C(C=C1)C2=CNC(=S)O2
InChI
InChI=1S/C9H7NOS/c12-9-10-6-8(11-9)7-4-2-1-3-5-7/h1-6H,(H,10,12)
InChIKey
OKGRCDVKEPEXFQ-UHFFFAOYSA-N
Compound name
5-phenyl-3H-1,3-oxazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
Patents

177.02484 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.03212 134.1
[M+Na]+ 200.01406 148.2
[M+NH4]+ 195.05866 143.5
[M+K]+ 215.98800 141.2
[M-H]- 176.01756 139.0
[M+Na-2H]- 197.99951 141.9
[M]+ 177.02429 138.0
[M]- 177.02539 138.0
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