CID 472927

Akos005144962

Structural Information

Molecular Formula
C11H5Cl2N3OS
SMILES
C1=CC(=CC=C1C2=C(N3C=C(SC3=N2)Cl)N=O)Cl
InChI
InChI=1S/C11H5Cl2N3OS/c12-7-3-1-6(2-4-7)9-10(15-17)16-5-8(13)18-11(16)14-9/h1-5H
InChIKey
UZXQCKXJWUNDEM-UHFFFAOYSA-N
Compound name
2-chloro-6-(4-chlorophenyl)-5-nitrosoimidazo[2,1-b][1,3]thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

296.95303 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.96031 163.2
[M+Na]+ 319.94225 178.4
[M-H]- 295.94575 171.3
[M+NH4]+ 314.98685 183.6
[M+K]+ 335.91619 172.4
[M+H-H2O]+ 279.95029 157.3
[M+HCOO]- 341.95123 176.8
[M+CH3COO]- 355.96688 177.4
[M+Na-2H]- 317.92770 164.7
[M]+ 296.95248 172.9
[M]- 296.95358 172.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.