CID 2063596

4-(chloromethyl)-2-(4-methylphenyl)-1,3-thiazole hydrochloride

Structural Information

Molecular Formula
C11H10ClNS
SMILES
CC1=CC=C(C=C1)C2=NC(=CS2)CCl
InChI
InChI=1S/C11H10ClNS/c1-8-2-4-9(5-3-8)11-13-10(6-12)7-14-11/h2-5,7H,6H2,1H3
InChIKey
MOMKYJPSVWEWPM-UHFFFAOYSA-N
Compound name
4-(chloromethyl)-2-(4-methylphenyl)-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22613
Patents

223.02225 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.02953 145.5
[M+Na]+ 246.01147 156.7
[M-H]- 222.01497 151.9
[M+NH4]+ 241.05607 166.3
[M+K]+ 261.98541 151.2
[M+H-H2O]+ 206.01951 139.6
[M+HCOO]- 268.02045 160.7
[M+CH3COO]- 282.03610 159.5
[M+Na-2H]- 243.99692 147.2
[M]+ 223.02170 149.9
[M]- 223.02280 149.9
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