CID 43286729

4-(3-chlorophenyl)-2,3-dihydro-1,3-thiazol-2-one

Structural Information

Molecular Formula
C9H6ClNOS
SMILES
C1=CC(=CC(=C1)Cl)C2=CSC(=O)N2
InChI
InChI=1S/C9H6ClNOS/c10-7-3-1-2-6(4-7)8-5-13-9(12)11-8/h1-5H,(H,11,12)
InChIKey
JSSIKAYQGBLIBU-UHFFFAOYSA-N
Compound name
4-(3-chlorophenyl)-3H-1,3-thiazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

210.98586 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.993136 140.0
[M+Na]+ 233.975078 151.7
[M-H]- 209.978584 145.3
[M+NH4]+ 229.019683 160.4
[M+K]+ 249.949018 145.7
[M+H-H2O]+ 193.983120 134.8
[M+HCOO]- 255.984061 154.8
[M+CH3COO]- 269.999711 154.0
[M+Na-2H]- 231.960526 142.4
[M]+ 210.98531142 142.5
[M]- 210.98640858 142.5
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

No patent data available for this compound.