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 143.3
[M+Na]+ 286.94192 156.8
[M-H]- 262.94542 144.6
[M+NH4]+ 281.98652 162.2
[M+K]+ 302.91586 150.4
[M+H-H2O]+ 246.94996 139.6
[M+HCOO]- 308.95090 148.6
[M+CH3COO]- 322.96655 156.0
[M+Na-2H]- 284.92737 148.5
[M]+ 263.95215 147.7
[M]- 263.95325 147.7
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