CID 43286752

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

210.98586 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.99314 140.0
[M+Na]+ 233.97508 151.7
[M-H]- 209.97858 145.3
[M+NH4]+ 229.01968 160.4
[M+K]+ 249.94902 145.7
[M+H-H2O]+ 193.98312 134.8
[M+HCOO]- 255.98406 154.8
[M+CH3COO]- 269.99971 154.0
[M+Na-2H]- 231.96053 142.4
[M]+ 210.98531 142.5
[M]- 210.98641 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

No literature data available for this compound.

Patent stripe

patents stripe