CID 18402815

4-phenyl-1,3-oxazole-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

509
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 132.9
[M+Na]+ 200.01406 143.5
[M-H]- 176.01756 138.8
[M+NH4]+ 195.05866 152.4
[M+K]+ 215.98800 140.1
[M+H-H2O]+ 160.02210 127.2
[M+HCOO]- 222.02304 151.7
[M+CH3COO]- 236.03869 147.3
[M+Na-2H]- 197.99951 137.3
[M]+ 177.02429 133.8
[M]- 177.02539 133.8
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