CID 165727290

5-bromoimidazo[2,1-b][1,3]thiazole-2-carbaldehyde

Structural Information

Molecular Formula
C6H3BrN2OS
SMILES
C1=C(N2C=C(SC2=N1)C=O)Br
InChI
InChI=1S/C6H3BrN2OS/c7-5-1-8-6-9(5)2-4(3-10)11-6/h1-3H
InChIKey
CNAQOMKJCAMOHC-UHFFFAOYSA-N
Compound name
5-bromoimidazo[2,1-b][1,3]thiazole-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.91495 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.92223 131.2
[M+Na]+ 252.90417 148.8
[M-H]- 228.90767 138.2
[M+NH4]+ 247.94877 156.5
[M+K]+ 268.87811 138.2
[M+H-H2O]+ 212.91221 132.7
[M+HCOO]- 274.91315 150.8
[M+CH3COO]- 288.92880 149.0
[M+Na-2H]- 250.88962 137.1
[M]+ 229.91440 155.5
[M]- 229.91550 155.5
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

No patent data available for this compound.