CID 15396324

6-bromo-2-methyl-2,3-dihydro-1lambda6,2-benzothiazole-1,1,3-trione

Structural Information

Molecular Formula
C8H6BrNO3S
SMILES
CN1C(=O)C2=C(S1(=O)=O)C=C(C=C2)Br
InChI
InChI=1S/C8H6BrNO3S/c1-10-8(11)6-3-2-5(9)4-7(6)14(10,12)13/h2-4H,1H3
InChIKey
HNKPLDQNUVJJBX-UHFFFAOYSA-N
Compound name
6-bromo-2-methyl-1,1-dioxo-1,2-benzothiazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

274.92517 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.93245 142.1
[M+Na]+ 297.91439 145.0
[M+NH4]+ 292.95899 147.7
[M+K]+ 313.88833 144.3
[M-H]- 273.91789 141.3
[M+Na-2H]- 295.89984 144.6
[M]+ 274.92462 141.5
[M]- 274.92572 141.5
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