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 161.9
[M+Na]+ 324.95757 171.9
[M-H]- 300.96107 167.7
[M+NH4]+ 320.00217 179.2
[M+K]+ 340.93151 166.1
[M+H-H2O]+ 284.96561 156.2
[M+HCOO]- 346.96655 172.6
[M+CH3COO]- 360.98220 198.0
[M+Na-2H]- 322.94302 162.8
[M]+ 301.96780 168.1
[M]- 301.96890 168.1
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.