CID 25198932

Chembl453267

Structural Information

Molecular Formula
C15H11Cl2NO3S2
SMILES
CC1=CC(=CC2=C1S(=O)(=O)NC(S2)C(=O)C3=CC=C(C=C3)Cl)Cl
InChI
InChI=1S/C15H11Cl2NO3S2/c1-8-6-11(17)7-12-14(8)23(20,21)18-15(22-12)13(19)9-2-4-10(16)5-3-9/h2-7,15,18H,1H3
InChIKey
OCSDHEOJKJQNEH-UHFFFAOYSA-N
Compound name
(6-chloro-8-methyl-1,1-dioxo-2,3-dihydro-1lambda6,4,2-benzodithiazin-3-yl)-(4-chlorophenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

386.95575 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.96303 171.9
[M+Na]+ 409.94497 182.7
[M-H]- 385.94847 176.7
[M+NH4]+ 404.98957 186.9
[M+K]+ 425.91891 174.9
[M+H-H2O]+ 369.95301 168.2
[M+HCOO]- 431.95395 170.7
[M+CH3COO]- 445.96960 181.9
[M+Na-2H]- 407.93042 173.6
[M]+ 386.95520 176.6
[M]- 386.95630 176.6
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.