CID 244634

4-(4-chlorophenyl)-2-hydroxythiazole

Structural Information

Molecular Formula
C9H6ClNOS
SMILES
C1=CC(=CC=C1C2=CSC(=O)N2)Cl
InChI
InChI=1S/C9H6ClNOS/c10-7-3-1-6(2-4-7)8-5-13-9(12)11-8/h1-5H,(H,11,12)
InChIKey
XODFWCAVOQHJFC-UHFFFAOYSA-N
Compound name
4-(4-chlorophenyl)-3H-1,3-thiazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

24
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

literature stripe

Patent stripe

patents stripe