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 140.8
[M+Na]+ 295.93514 157.0
[M-H]- 271.93864 148.5
[M+NH4]+ 290.97974 164.1
[M+K]+ 311.90908 146.1
[M+H-H2O]+ 255.94318 141.9
[M+HCOO]- 317.94412 159.6
[M+CH3COO]- 331.95977 192.2
[M+Na-2H]- 293.92059 147.3
[M]+ 272.94537 167.0
[M]- 272.94647 167.0
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