CID 471048

7-chloro-2-ethyl-2h-1,2,4-benzothiadiazin-3(4h)-one 1,1-dioxide

Structural Information

Molecular Formula
C9H9ClN2O3S
SMILES
CCN1C(=O)NC2=C(S1(=O)=O)C=C(C=C2)Cl
InChI
InChI=1S/C9H9ClN2O3S/c1-2-12-9(13)11-7-4-3-6(10)5-8(7)16(12,14)15/h3-5H,2H2,1H3,(H,11,13)
InChIKey
XYALVIXMZTUEGQ-UHFFFAOYSA-N
Compound name
7-chloro-2-ethyl-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

260.00223 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.00951 147.2
[M+Na]+ 282.99145 159.2
[M-H]- 258.99495 148.5
[M+NH4]+ 278.03605 165.7
[M+K]+ 298.96539 153.7
[M+H-H2O]+ 242.99949 142.6
[M+HCOO]- 305.00043 156.1
[M+CH3COO]- 319.01608 188.0
[M+Na-2H]- 280.97690 151.8
[M]+ 260.00168 150.6
[M]- 260.00278 150.6
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.