CID 23273968

7-bromo-3-methyl-4h-1lambda6,2,4-benzothiadiazine-1,1-dione

Structural Information

Molecular Formula
C8H7BrN2O2S
SMILES
CC1=NS(=O)(=O)C2=C(N1)C=CC(=C2)Br
InChI
InChI=1S/C8H7BrN2O2S/c1-5-10-7-3-2-6(9)4-8(7)14(12,13)11-5/h2-4H,1H3,(H,10,11)
InChIKey
BWHVDVMKHHHBDU-UHFFFAOYSA-N
Compound name
7-bromo-3-methyl-4H-1lambda6,2,4-benzothiadiazine 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

273.94116 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.94844 134.2
[M+Na]+ 296.93038 149.3
[M-H]- 272.93388 138.7
[M+NH4]+ 291.97498 155.2
[M+K]+ 312.90432 136.8
[M+H-H2O]+ 256.93842 135.5
[M+HCOO]- 318.93936 147.6
[M+CH3COO]- 332.95501 149.6
[M+Na-2H]- 294.91583 143.3
[M]+ 273.94061 154.7
[M]- 273.94171 154.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe