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

1101
Patents

177.02484 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.032116 132.9
[M+Na]+ 200.014058 143.5
[M-H]- 176.017564 138.8
[M+NH4]+ 195.058663 152.4
[M+K]+ 215.987998 140.1
[M+H-H2O]+ 160.022100 127.2
[M+HCOO]- 222.023041 151.7
[M+CH3COO]- 236.038691 147.3
[M+Na-2H]- 197.999506 137.3
[M]+ 177.02429142 133.8
[M]- 177.02538858 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