CID 91810875

1247348-71-5

Structural Information

Molecular Formula
C8H5BrClNOS
SMILES
COC1=C2C(=C(C=C1)Br)SC(=N2)Cl
InChI
InChI=1S/C8H5BrClNOS/c1-12-5-3-2-4(9)7-6(5)11-8(10)13-7/h2-3H,1H3
InChIKey
FQKXANHZLLLXJG-UHFFFAOYSA-N
Compound name
7-bromo-2-chloro-4-methoxy-1,3-benzothiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.8964 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.90368 138.6
[M+Na]+ 299.88562 156.4
[M-H]- 275.88912 146.5
[M+NH4]+ 294.93022 162.8
[M+K]+ 315.85956 143.5
[M+H-H2O]+ 259.89366 140.8
[M+HCOO]- 321.89460 153.2
[M+CH3COO]- 335.91025 156.0
[M+Na-2H]- 297.87107 145.3
[M]+ 276.89585 164.9
[M]- 276.89695 164.9
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

No patent data available for this compound.