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 170.0
[M+Na]+ 356.93932 180.2
[M-H]- 332.94282 174.6
[M+NH4]+ 351.98392 186.2
[M+K]+ 372.91326 173.1
[M+H-H2O]+ 316.94736 164.9
[M+HCOO]- 378.94830 174.5
[M+CH3COO]- 392.96395 180.8
[M+Na-2H]- 354.92477 168.4
[M]+ 333.94955 175.3
[M]- 333.95065 175.3
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.