CID 23273968

13460-15-6

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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	274.94844	137.6
[M+Na]+	296.93038	141.9
[M+NH4]+	291.97498	143.4
[M+K]+	312.90432	139.4
[M-H]-	272.93388	137.2
[M+Na-2H]-	294.91583	142.0
[M]+	273.94061	137.5
[M]-	273.94171	137.5

Literature stripe

literature stripe

Patent stripe

patents stripe