CID 120672

446-62-8

Structural Information

Molecular Formula
C8H8Cl2N2O2S
SMILES
CC1NC2=CC(=C(C=C2S(=O)(=O)N1)Cl)Cl
InChI
InChI=1S/C8H8Cl2N2O2S/c1-4-11-7-2-5(9)6(10)3-8(7)15(13,14)12-4/h2-4,11-12H,1H3
InChIKey
XKFWNSMNSIGNBO-UHFFFAOYSA-N
Compound name
6,7-dichloro-3-methyl-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

265.96835 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.97563 150.9
[M+Na]+ 288.95757 165.0
[M+NH4]+ 284.00217 160.3
[M+K]+ 304.93151 154.6
[M-H]- 264.96107 151.1
[M+Na-2H]- 286.94302 156.4
[M]+ 265.96780 154.1
[M]- 265.96890 154.1
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.