CID 18402815

4-phenyloxazole-2-thiol

Structural Information

Molecular Formula
C9H7NOS
SMILES
C1=CC=C(C=C1)C2=COC(=S)N2
InChI
InChI=1S/C9H7NOS/c12-9-10-8(6-11-9)7-4-2-1-3-5-7/h1-6H,(H,10,12)
InChIKey
ADWVAVYROMEPCK-UHFFFAOYSA-N
Compound name
4-phenyl-3H-1,3-oxazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

506
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

No literature data available for this compound.

Patent stripe

patents stripe