CID 486125

1,3-bis[(2,3-dichlorophenyl)methyl]-2,2-dioxo-2$l^{6},1,3-benzothiadiazin-4-one

Structural Information

Molecular Formula
C21H14Cl4N2O3S
SMILES
C1=CC=C2C(=C1)C(=O)N(S(=O)(=O)N2CC3=C(C(=CC=C3)Cl)Cl)CC4=C(C(=CC=C4)Cl)Cl
InChI
InChI=1S/C21H14Cl4N2O3S/c22-16-8-3-5-13(19(16)24)11-26-18-10-2-1-7-15(18)21(28)27(31(26,29)30)12-14-6-4-9-17(23)20(14)25/h1-10H,11-12H2
InChIKey
IOPSZBMQOASYMX-UHFFFAOYSA-N
Compound name
1,3-bis[(2,3-dichlorophenyl)methyl]-2,2-dioxo-2lambda6,1,3-benzothiadiazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

513.94794 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 514.95522 202.6
[M+Na]+ 536.93716 214.4
[M-H]- 512.94066 207.7
[M+NH4]+ 531.98176 211.6
[M+K]+ 552.91110 207.4
[M+H-H2O]+ 496.94520 194.9
[M+HCOO]- 558.94614 196.3
[M+CH3COO]- 572.96179 209.9
[M+Na-2H]- 534.92261 201.2
[M]+ 513.94739 209.0
[M]- 513.94849 209.0
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.