CID 329950

6-chloroimidazo[2,1-b][1,3]thiazole-5-carbaldehyde

Structural Information

Molecular Formula
C6H3ClN2OS
SMILES
C1=CSC2=NC(=C(N21)C=O)Cl
InChI
InChI=1S/C6H3ClN2OS/c7-5-4(3-10)9-1-2-11-6(9)8-5/h1-3H
InChIKey
ZUBBEEJDPFMKHA-UHFFFAOYSA-N
Compound name
6-chloroimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

62
Patents

185.96545 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.972726 133.9
[M+Na]+ 208.954668 148.5
[M-H]- 184.958174 137.8
[M+NH4]+ 203.999273 157.9
[M+K]+ 224.928608 144.6
[M+H-H2O]+ 168.962710 129.3
[M+HCOO]- 230.963651 150.5
[M+CH3COO]- 244.979301 149.5
[M+Na-2H]- 206.940116 137.0
[M]+ 185.96490142 141.3
[M]- 185.96599858 141.3
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