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 171.3
[M+Na]+ 356.93932 182.3
[M-H]- 332.94282 177.3
[M+NH4]+ 351.98392 188.2
[M+K]+ 372.91326 175.4
[M+H-H2O]+ 316.94736 165.8
[M+HCOO]- 378.94830 177.4
[M+CH3COO]- 392.96395 206.0
[M+Na-2H]- 354.92477 169.9
[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

literature stripe

Patent stripe

No patent data available for this compound.