CID 333028

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

Structural Information

Molecular Formula
C6H2ClN3S
SMILES
C1=CSC2=NC(=C(N21)C#N)Cl
InChI
InChI=1S/C6H2ClN3S/c7-5-4(3-8)10-1-2-11-6(10)9-5/h1-2H
InChIKey
AZVXNMOQCHVDQG-UHFFFAOYSA-N
Compound name
6-chloroimidazo[2,1-b][1,3]thiazole-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

182.96579 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.97307 139.2
[M+Na]+ 205.95501 155.2
[M-H]- 181.95851 142.2
[M+NH4]+ 200.99961 160.8
[M+K]+ 221.92895 150.1
[M+H-H2O]+ 165.96305 127.1
[M+HCOO]- 227.96399 152.0
[M+CH3COO]- 241.97964 152.7
[M+Na-2H]- 203.94046 141.8
[M]+ 182.96524 140.0
[M]- 182.96634 140.0
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