CID 120221

359-86-4

Structural Information

Molecular Formula
C7H6Cl2N2O2S
SMILES
C1NC2=CC(=C(C=C2S(=O)(=O)N1)Cl)Cl
InChI
InChI=1S/C7H6Cl2N2O2S/c8-4-1-6-7(2-5(4)9)14(12,13)11-3-10-6/h1-2,10-11H,3H2
InChIKey
SNNKWGFTJMWYDY-UHFFFAOYSA-N
Compound name
6,7-dichloro-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.9527 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.95998 146.3
[M+Na]+ 274.94192 160.2
[M+NH4]+ 269.98652 155.8
[M+K]+ 290.91586 149.8
[M-H]- 250.94542 146.5
[M+Na-2H]- 272.92737 152.2
[M]+ 251.95215 149.4
[M]- 251.95325 149.4
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

No patent data available for this compound.