CID 2412504

731827-29-5

Structural Information

Molecular Formula
C12H9Cl3N2OS
SMILES
C1=CC(=C(C=C1Cl)Cl)CN2C=CSC2=NC(=O)CCl
InChI
InChI=1S/C12H9Cl3N2OS/c13-6-11(18)16-12-17(3-4-19-12)7-8-1-2-9(14)5-10(8)15/h1-5H,6-7H2
InChIKey
OYYOBWASUAPCJB-UHFFFAOYSA-N
Compound name
2-chloro-N-[3-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-ylidene]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

333.9501 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.95738 173.4
[M+Na]+ 356.93932 187.8
[M+NH4]+ 351.98392 181.9
[M+K]+ 372.91326 178.3
[M-H]- 332.94282 176.8
[M+Na-2H]- 354.92477 180.1
[M]+ 333.94955 177.7
[M]- 333.95065 177.7
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.