CID 16228671

2-chloro-n-{5-[(2,6-dichlorophenyl)methyl]-1,3-thiazol-2-yl}acetamide

Structural Information

Molecular Formula
C12H9Cl3N2OS
SMILES
C1=CC(=C(C(=C1)Cl)CC2=CN=C(S2)NC(=O)CCl)Cl
InChI
InChI=1S/C12H9Cl3N2OS/c13-5-11(18)17-12-16-6-7(19-12)4-8-9(14)2-1-3-10(8)15/h1-3,6H,4-5H2,(H,16,17,18)
InChIKey
YTFFXEGRKCZJAC-UHFFFAOYSA-N
Compound name
2-chloro-N-[5-[(2,6-dichlorophenyl)methyl]-1,3-thiazol-2-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.9501 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.95738 173.5
[M+Na]+ 356.93932 187.3
[M+NH4]+ 351.98392 182.0
[M+K]+ 372.91326 178.3
[M-H]- 332.94282 176.7
[M+Na-2H]- 354.92477 179.8
[M]+ 333.94955 177.6
[M]- 333.95065 177.6
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

No patent data available for this compound.