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 140.9
[M+Na]+ 274.94192 152.5
[M-H]- 250.94542 140.3
[M+NH4]+ 269.98652 159.3
[M+K]+ 290.91586 145.7
[M+H-H2O]+ 234.94996 137.6
[M+HCOO]- 296.95090 143.7
[M+CH3COO]- 310.96655 152.5
[M+Na-2H]- 272.92737 146.0
[M]+ 251.95215 141.5
[M]- 251.95325 141.5
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.