CID 10398915

5-bromobenzo[d]isothiazol-3-amine

Structural Information

Molecular Formula
C7H5BrN2S
SMILES
C1=CC2=C(C=C1Br)C(=NS2)N
InChI
InChI=1S/C7H5BrN2S/c8-4-1-2-6-5(3-4)7(9)10-11-6/h1-3H,(H2,9,10)
InChIKey
NTLSBZHEUNMUAP-UHFFFAOYSA-N
Compound name
5-bromo-1,2-benzothiazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

227.93568 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.94296 129.9
[M+Na]+ 250.92490 134.0
[M+NH4]+ 245.96950 136.4
[M+K]+ 266.89884 133.7
[M-H]- 226.92840 131.6
[M+Na-2H]- 248.91035 134.2
[M]+ 227.93513 130.2
[M]- 227.93623 130.2
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