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]+ 336.86403 134.4
[M+Na]+ 358.84597 149.2
[M-H]- 334.84947 142.1
[M+NH4]+ 353.89057 154.8
[M+K]+ 374.81991 132.9
[M+H-H2O]+ 318.85401 142.8
[M+HCOO]- 380.85495 148.8
[M+CH3COO]- 394.87060 150.1
[M+Na-2H]- 356.83142 141.0
[M]+ 335.85620 172.1
[M]- 335.85730 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.