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

59
Patents

185.96545 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.97273 133.9
[M+Na]+ 208.95467 148.5
[M-H]- 184.95817 137.8
[M+NH4]+ 203.99927 157.9
[M+K]+ 224.92861 144.6
[M+H-H2O]+ 168.96271 129.3
[M+HCOO]- 230.96365 150.5
[M+CH3COO]- 244.97930 149.5
[M+Na-2H]- 206.94012 137.0
[M]+ 185.96490 141.3
[M]- 185.96600 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