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]+ 277.93593 154.5
[M+Na]+ 299.91787 166.6
[M-H]- 275.92137 159.2
[M+NH4]+ 294.96247 173.4
[M+K]+ 315.89181 159.7
[M+H-H2O]+ 259.92591 149.8
[M+HCOO]- 321.92685 159.2
[M+CH3COO]- 335.94250 166.9
[M+Na-2H]- 297.90332 154.1
[M]+ 276.92810 159.5
[M]- 276.92920 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