CID 25198933

Chembl456030

Structural Information

Molecular Formula
C15H10Cl3NO3S2
SMILES
CC1=CC(=CC2=C1S(=O)(=O)NC(S2)C(=O)C3=CC(=C(C=C3)Cl)Cl)Cl
InChI
InChI=1S/C15H10Cl3NO3S2/c1-7-4-9(16)6-12-14(7)24(21,22)19-15(23-12)13(20)8-2-3-10(17)11(18)5-8/h2-6,15,19H,1H3
InChIKey
RYCBRKHBTZTJPK-UHFFFAOYSA-N
Compound name
(6-chloro-8-methyl-1,1-dioxo-2,3-dihydro-1lambda6,4,2-benzodithiazin-3-yl)-(3,4-dichlorophenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

420.91678 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.92406 174.5
[M+Na]+ 443.90600 185.4
[M-H]- 419.90950 178.6
[M+NH4]+ 438.95060 188.4
[M+K]+ 459.87994 177.9
[M+H-H2O]+ 403.91404 171.9
[M+HCOO]- 465.91498 168.3
[M+CH3COO]- 479.93063 183.8
[M+Na-2H]- 441.89145 174.9
[M]+ 420.91623 179.6
[M]- 420.91733 179.6
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.