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

1
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

patents stripe