CID 387415

Nsc681163

Structural Information

Molecular Formula
C10H4ClN3O2S2
SMILES
C1=CN2C(=N1)SC3=C(S2(=O)=O)C=C(C(=C3)Cl)C#N
InChI
InChI=1S/C10H4ClN3O2S2/c11-7-4-8-9(3-6(7)5-12)18(15,16)14-2-1-13-10(14)17-8/h1-4H
InChIKey
YLSUVYSBUWYBGM-UHFFFAOYSA-N
Compound name
8-chloro-5,5-dioxoimidazo[1,2-b][1,4,2]benzodithiazine-7-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

296.94336 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.95064 166.7
[M+Na]+ 319.93258 183.5
[M-H]- 295.93608 170.5
[M+NH4]+ 314.97718 185.6
[M+K]+ 335.90652 175.5
[M+H-H2O]+ 279.94062 156.5
[M+HCOO]- 341.94156 170.8
[M+CH3COO]- 355.95721 177.9
[M+Na-2H]- 317.91803 170.1
[M]+ 296.94281 168.3
[M]- 296.94391 168.3
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.