CID 610297

4-(chloromethyl)-2-(4-chlorophenyl)-1,3-thiazole

Structural Information

Molecular Formula
C10H7Cl2NS
SMILES
C1=CC(=CC=C1C2=NC(=CS2)CCl)Cl
InChI
InChI=1S/C10H7Cl2NS/c11-5-9-6-14-10(13-9)7-1-3-8(12)4-2-7/h1-4,6H,5H2
InChIKey
UEJQTBKTWJQBRN-UHFFFAOYSA-N
Compound name
4-(chloromethyl)-2-(4-chlorophenyl)-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

365
Patents

242.96762 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.97490 147.7
[M+Na]+ 265.95684 159.5
[M-H]- 241.96034 153.5
[M+NH4]+ 261.00144 168.0
[M+K]+ 281.93078 153.1
[M+H-H2O]+ 225.96488 142.5
[M+HCOO]- 287.96582 158.0
[M+CH3COO]- 301.98147 161.2
[M+Na-2H]- 263.94229 149.2
[M]+ 242.96707 152.6
[M]- 242.96817 152.6
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

patents stripe