CID 88895109

6-bromo-5-methoxy-1,3-benzothiazol-2-amine

Structural Information

Molecular Formula
C8H7BrN2OS
SMILES
COC1=C(C=C2C(=C1)N=C(S2)N)Br
InChI
InChI=1S/C8H7BrN2OS/c1-12-6-3-5-7(2-4(6)9)13-8(10)11-5/h2-3H,1H3,(H2,10,11)
InChIKey
NNHNIBUSODSJMQ-UHFFFAOYSA-N
Compound name
6-bromo-5-methoxy-1,3-benzothiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

257.94626 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.95354 138.3
[M+Na]+ 280.93548 142.0
[M+NH4]+ 275.98008 144.0
[M+K]+ 296.90942 142.0
[M-H]- 256.93898 139.5
[M+Na-2H]- 278.92093 141.6
[M]+ 257.94571 138.4
[M]- 257.94681 138.4
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