CID 13775785

2-amino-5-bromobenzothiazole

Structural Information

Molecular Formula
C7H5BrN2S
SMILES
C1=CC2=C(C=C1Br)N=C(S2)N
InChI
InChI=1S/C7H5BrN2S/c8-4-1-2-6-5(3-4)10-7(9)11-6/h1-3H,(H2,9,10)
InChIKey
ZPUJTWBWSOOMRP-UHFFFAOYSA-N
Compound name
5-bromo-1,3-benzothiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

313
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

literature stripe

Patent stripe

patents stripe