CID 120222

6,7-dichloro-2h-1,2,4-benzothiadiazine 1,1-dioxide

Structural Information

Molecular Formula
C7H4Cl2N2O2S
SMILES
C1=C2C(=CC(=C1Cl)Cl)S(=O)(=O)N=CN2
InChI
InChI=1S/C7H4Cl2N2O2S/c8-4-1-6-7(2-5(4)9)14(12,13)11-3-10-6/h1-3H,(H,10,11)
InChIKey
AOSLDRBVMZNIQT-UHFFFAOYSA-N
Compound name
6,7-dichloro-4H-1lambda6,2,4-benzothiadiazine 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

249.93706 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.94434 139.2
[M+Na]+ 272.92628 152.3
[M-H]- 248.92978 140.4
[M+NH4]+ 267.97088 158.5
[M+K]+ 288.90022 146.2
[M+H-H2O]+ 232.93432 135.5
[M+HCOO]- 294.93526 144.9
[M+CH3COO]- 308.95091 152.0
[M+Na-2H]- 270.91173 145.6
[M]+ 249.93651 143.0
[M]- 249.93761 143.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe