CID 6267839

Nsc109000

Structural Information

Molecular Formula
C12H8Cl2N2OS
SMILES
C1CN2C(=O)/C(=C\C3=CC(=C(C=C3)Cl)Cl)/SC2=N1
InChI
InChI=1S/C12H8Cl2N2OS/c13-8-2-1-7(5-9(8)14)6-10-11(17)16-4-3-15-12(16)18-10/h1-2,5-6H,3-4H2/b10-6+
InChIKey
WZXDZXLWRRCPCE-UXBLZVDNSA-N
Compound name
(2E)-2-[(3,4-dichlorophenyl)methylidene]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.97345 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.98073 165.3
[M+Na]+ 320.96267 179.8
[M-H]- 296.96617 171.6
[M+NH4]+ 316.00727 185.3
[M+K]+ 336.93661 172.6
[M+H-H2O]+ 280.97071 159.9
[M+HCOO]- 342.97165 174.9
[M+CH3COO]- 356.98730 178.4
[M+Na-2H]- 318.94812 164.1
[M]+ 297.97290 172.0
[M]- 297.97400 172.0
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

No patent data available for this compound.