CID 16777896

4-(chloromethyl)-2-[(4-chlorophenyl)methyl]-1,3-thiazole

Structural Information

Molecular Formula
C11H9Cl2NS
SMILES
C1=CC(=CC=C1CC2=NC(=CS2)CCl)Cl
InChI
InChI=1S/C11H9Cl2NS/c12-6-10-7-15-11(14-10)5-8-1-3-9(13)4-2-8/h1-4,7H,5-6H2
InChIKey
JKOSBKMDYGIXOQ-UHFFFAOYSA-N
Compound name
4-(chloromethyl)-2-[(4-chlorophenyl)methyl]-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

256.98328 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.99056 152.2
[M+Na]+ 279.97250 163.5
[M-H]- 255.97600 157.8
[M+NH4]+ 275.01710 171.9
[M+K]+ 295.94644 156.9
[M+H-H2O]+ 239.98054 146.7
[M+HCOO]- 301.98148 162.2
[M+CH3COO]- 315.99713 165.2
[M+Na-2H]- 277.95795 153.1
[M]+ 256.98273 157.4
[M]- 256.98383 157.4
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