CID 16074427

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

Structural Information

Molecular Formula
C8H7ClN2O3S
SMILES
C1C(=O)NC2=C(C=C(C=C2)Cl)S(=O)(=O)N1
InChI
InChI=1S/C8H7ClN2O3S/c9-5-1-2-6-7(3-5)15(13,14)10-4-8(12)11-6/h1-3,10H,4H2,(H,11,12)
InChIKey
IDEQOHGEMKXDME-UHFFFAOYSA-N
Compound name
8-chloro-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

245.98659 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.99387 144.1
[M+Na]+ 268.97581 153.8
[M-H]- 244.97931 145.0
[M+NH4]+ 264.02041 160.9
[M+K]+ 284.94975 152.5
[M+H-H2O]+ 228.98385 138.5
[M+HCOO]- 290.98479 151.8
[M+CH3COO]- 305.00044 155.2
[M+Na-2H]- 266.96126 148.6
[M]+ 245.98604 141.4
[M]- 245.98714 141.4
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.