CID 70542744

5-bromo-6-methoxy-1,3-benzothiazole

Structural Information

Molecular Formula
C8H6BrNOS
SMILES
COC1=C(C=C2C(=C1)SC=N2)Br
InChI
InChI=1S/C8H6BrNOS/c1-11-7-3-8-6(2-5(7)9)10-4-12-8/h2-4H,1H3
InChIKey
JICXZAPYFJXEJR-UHFFFAOYSA-N
Compound name
5-bromo-6-methoxy-1,3-benzothiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

242.93535 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.94263 133.5
[M+Na]+ 265.92457 138.4
[M+NH4]+ 260.96917 139.9
[M+K]+ 281.89851 137.7
[M-H]- 241.92807 134.7
[M+Na-2H]- 263.91002 137.8
[M]+ 242.93480 133.9
[M]- 242.93590 133.9
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