CID 667798

42310-58-7

Structural Information

Molecular Formula
C11H8Cl2N2O2S
SMILES
C1=CC(=C(C=C1Cl)Cl)OCC(=O)NC2=NC=CS2
InChI
InChI=1S/C11H8Cl2N2O2S/c12-7-1-2-9(8(13)5-7)17-6-10(16)15-11-14-3-4-18-11/h1-5H,6H2,(H,14,15,16)
InChIKey
IKSUVTOQBOGSHO-UHFFFAOYSA-N
Compound name
2-(2,4-dichlorophenoxy)-N-(1,3-thiazol-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

0
Patents

301.96835 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.97563 163.3
[M+Na]+ 324.95757 176.5
[M+NH4]+ 320.00217 171.8
[M+K]+ 340.93151 168.8
[M-H]- 300.96107 166.5
[M+Na-2H]- 322.94302 170.3
[M]+ 301.96780 167.0
[M]- 301.96890 167.0
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.