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 136.0
[M+Na]+ 297.91439 152.7
[M-H]- 273.91789 143.7
[M+NH4]+ 292.95899 160.8
[M+K]+ 313.88833 141.3
[M+H-H2O]+ 257.92243 138.4
[M+HCOO]- 319.92337 153.0
[M+CH3COO]- 333.93902 190.4
[M+Na-2H]- 295.89984 142.5
[M]+ 274.92462 159.6
[M]- 274.92572 159.6
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