CID 471071

8-chloro-2,3-dihydro-3-methyl-1,2,5-benzothiadiazepin-4(5h)-one 1,1-dioxide

Structural Information

Molecular Formula
C9H9ClN2O3S
SMILES
CC1C(=O)NC2=C(C=C(C=C2)Cl)S(=O)(=O)N1
InChI
InChI=1S/C9H9ClN2O3S/c1-5-9(13)11-7-3-2-6(10)4-8(7)16(14,15)12-5/h2-5,12H,1H3,(H,11,13)
InChIKey
CIXJQDLVRLZHNE-UHFFFAOYSA-N
Compound name
8-chloro-3-methyl-1,1-dioxo-3,5-dihydro-2H-1lambda6,2,5-benzothiadiazepin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

260.00223 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.00951 147.8
[M+Na]+ 282.99145 157.8
[M-H]- 258.99495 148.8
[M+NH4]+ 278.03605 164.3
[M+K]+ 298.96539 156.5
[M+H-H2O]+ 242.99949 142.2
[M+HCOO]- 305.00043 155.1
[M+CH3COO]- 319.01608 158.8
[M+Na-2H]- 280.97690 151.3
[M]+ 260.00168 145.7
[M]- 260.00278 145.7
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.