CID 146049822

4-bromo-1-methyl-3h-1lambda6,2-benzothiazol-1-one

Structural Information

Molecular Formula
C8H8BrNOS
SMILES
CS1(=NCC2=C1C=CC=C2Br)=O
InChI
InChI=1S/C8H8BrNOS/c1-12(11)8-4-2-3-7(9)6(8)5-10-12/h2-4H,5H2,1H3
InChIKey
XKCVRZOPXSEHKX-UHFFFAOYSA-N
Compound name
4-bromo-1-methyl-3H-1,2-benzothiazole 1-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.951 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.95828 135.1
[M+Na]+ 267.94022 139.2
[M+NH4]+ 262.98482 142.4
[M+K]+ 283.91416 137.2
[M-H]- 243.94372 135.9
[M+Na-2H]- 265.92567 139.9
[M]+ 244.95045 135.4
[M]- 244.95155 135.4
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.