CID 43140319

4-(chloromethyl)-2-(2,6-dichlorophenyl)-1,3-thiazole

Structural Information

Molecular Formula
C10H6Cl3NS
SMILES
C1=CC(=C(C(=C1)Cl)C2=NC(=CS2)CCl)Cl
InChI
InChI=1S/C10H6Cl3NS/c11-4-6-5-15-10(14-6)9-7(12)2-1-3-8(9)13/h1-3,5H,4H2
InChIKey
FZLRHDRKBPZOJQ-UHFFFAOYSA-N
Compound name
4-(chloromethyl)-2-(2,6-dichlorophenyl)-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.92865 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.935926 154.5
[M+Na]+ 299.917868 166.6
[M-H]- 275.921374 159.2
[M+NH4]+ 294.962473 173.4
[M+K]+ 315.891808 159.7
[M+H-H2O]+ 259.925910 149.8
[M+HCOO]- 321.926851 159.2
[M+CH3COO]- 335.942501 166.9
[M+Na-2H]- 297.903316 154.1
[M]+ 276.92810142 159.5
[M]- 276.92919858 159.5
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

patents stripe