CID 86069026

2-bromo-5,6-dimethoxy-1,3-benzothiazole

Structural Information

Molecular Formula
C9H8BrNO2S
SMILES
COC1=C(C=C2C(=C1)N=C(S2)Br)OC
InChI
InChI=1S/C9H8BrNO2S/c1-12-6-3-5-8(4-7(6)13-2)14-9(10)11-5/h3-4H,1-2H3
InChIKey
MTGQYPIUTNSWAD-UHFFFAOYSA-N
Compound name
2-bromo-5,6-dimethoxy-1,3-benzothiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

272.94592 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.95320 141.7
[M+Na]+ 295.93514 146.2
[M+NH4]+ 290.97974 147.4
[M+K]+ 311.90908 145.9
[M-H]- 271.93864 142.4
[M+Na-2H]- 293.92059 145.0
[M]+ 272.94537 141.9
[M]- 272.94647 141.9
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