CID 868206

6-(3-chlorophenyl)-2-methylimidazo[2,1-b][1,3]thiazole

Structural Information

Molecular Formula
C12H9ClN2S
SMILES
CC1=CN2C=C(N=C2S1)C3=CC(=CC=C3)Cl
InChI
InChI=1S/C12H9ClN2S/c1-8-6-15-7-11(14-12(15)16-8)9-3-2-4-10(13)5-9/h2-7H,1H3
InChIKey
GTWNWVFCRXUSRC-UHFFFAOYSA-N
Compound name
6-(3-chlorophenyl)-2-methylimidazo[2,1-b][1,3]thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

5
Patents

248.0175 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.024776 152.7
[M+Na]+ 271.006718 167.1
[M-H]- 247.010224 159.8
[M+NH4]+ 266.051323 174.4
[M+K]+ 286.980658 161.2
[M+H-H2O]+ 231.014760 146.9
[M+HCOO]- 293.015701 168.6
[M+CH3COO]- 307.031351 167.3
[M+Na-2H]- 268.992166 154.1
[M]+ 248.01695142 159.8
[M]- 248.01804858 159.8
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