CID 406652

Nsc724892

Structural Information

Molecular Formula
C11H9ClN2O2S2
SMILES
CC1=CC(=CC2=C1S(=O)(=O)N3C(=CN=C3S2)C)Cl
InChI
InChI=1S/C11H9ClN2O2S2/c1-6-3-8(12)4-9-10(6)18(15,16)14-7(2)5-13-11(14)17-9/h3-5H,1-2H3
InChIKey
HYHJCYPNEYARCD-UHFFFAOYSA-N
Compound name
8-chloro-3,6-dimethylimidazo[1,2-b][1,4,2]benzodithiazine 5,5-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

299.9794 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.98668 157.2
[M+Na]+ 322.96862 172.0
[M-H]- 298.97212 161.2
[M+NH4]+ 318.01322 178.3
[M+K]+ 338.94256 165.8
[M+H-H2O]+ 282.97666 153.6
[M+HCOO]- 344.97760 163.3
[M+CH3COO]- 358.99325 170.3
[M+Na-2H]- 320.95407 160.3
[M]+ 299.97885 165.1
[M]- 299.97995 165.1
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.