CID 103415241

4,6-dibromo-7-methoxy-1,3-benzothiazol-2-amine

Structural Information

Molecular Formula
C8H6Br2N2OS
SMILES
COC1=C(C=C(C2=C1SC(=N2)N)Br)Br
InChI
InChI=1S/C8H6Br2N2OS/c1-13-6-4(10)2-3(9)5-7(6)14-8(11)12-5/h2H,1H3,(H2,11,12)
InChIKey
XFPSAXPOBRWUCB-UHFFFAOYSA-N
Compound name
4,6-dibromo-7-methoxy-1,3-benzothiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.85675 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.864026 134.4
[M+Na]+ 358.845968 149.2
[M-H]- 334.849474 142.1
[M+NH4]+ 353.890573 154.8
[M+K]+ 374.819908 132.9
[M+H-H2O]+ 318.854010 142.8
[M+HCOO]- 380.854951 148.8
[M+CH3COO]- 394.870601 150.1
[M+Na-2H]- 356.831416 141.0
[M]+ 335.85620142 172.1
[M]- 335.85729858 172.1
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.