CID 73012534

1823314-91-5

Structural Information

Molecular Formula
C8H5BrN2OS
SMILES
C1=CC2=C(C=C1C(=O)N)N=C(S2)Br
InChI
InChI=1S/C8H5BrN2OS/c9-8-11-5-3-4(7(10)12)1-2-6(5)13-8/h1-3H,(H2,10,12)
InChIKey
SGXRCWFBFQQJEA-UHFFFAOYSA-N
Compound name
2-bromo-1,3-benzothiazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.9306 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.93788 137.3
[M+Na]+ 278.91982 152.2
[M-H]- 254.92332 144.2
[M+NH4]+ 273.96442 160.1
[M+K]+ 294.89376 140.0
[M+H-H2O]+ 238.92786 137.8
[M+HCOO]- 300.92880 155.6
[M+CH3COO]- 314.94445 153.5
[M+Na-2H]- 276.90527 143.4
[M]+ 255.93005 158.6
[M]- 255.93115 158.6
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.