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]+ 252.959976 140.9
[M+Na]+ 274.941918 152.5
[M-H]- 250.945424 140.3
[M+NH4]+ 269.986523 159.3
[M+K]+ 290.915858 145.7
[M+H-H2O]+ 234.949960 137.6
[M+HCOO]- 296.950901 143.7
[M+CH3COO]- 310.966551 152.5
[M+Na-2H]- 272.927366 146.0
[M]+ 251.95215142 141.5
[M]- 251.95324858 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.