CID 120224

364-96-5

Structural Information

Molecular Formula
C8H6Cl2N2O2S
SMILES
CC1=NS(=O)(=O)C2=CC(=C(C=C2N1)Cl)Cl
InChI
InChI=1S/C8H6Cl2N2O2S/c1-4-11-7-2-5(9)6(10)3-8(7)15(13,14)12-4/h2-3H,1H3,(H,11,12)
InChIKey
NJMWRGDFOPSHPX-UHFFFAOYSA-N
Compound name
6,7-dichloro-3-methyl-4H-1lambda6,2,4-benzothiadiazine 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

263.9527 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.95998 150.1
[M+Na]+ 286.94192 165.6
[M+NH4]+ 281.98652 159.9
[M+K]+ 302.91586 154.6
[M-H]- 262.94542 151.0
[M+Na-2H]- 284.92737 156.9
[M]+ 263.95215 153.8
[M]- 263.95325 153.8
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