CID 3524848

6-iodo-1,3-benzothiazol-2-amine

Structural Information

Molecular Formula
C7H5IN2S
SMILES
C1=CC2=C(C=C1I)SC(=N2)N
InChI
InChI=1S/C7H5IN2S/c8-4-1-2-5-6(3-4)11-7(9)10-5/h1-3H,(H2,9,10)
InChIKey
WMKLSFIAHMBOTP-UHFFFAOYSA-N
Compound name
6-iodo-1,3-benzothiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

48
Patents

275.9218 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.92908 136.7
[M+Na]+ 298.91102 141.7
[M-H]- 274.91452 133.9
[M+NH4]+ 293.95562 154.5
[M+K]+ 314.88496 143.6
[M+H-H2O]+ 258.91906 127.8
[M+HCOO]- 320.92000 152.9
[M+CH3COO]- 334.93565 147.3
[M+Na-2H]- 296.89647 130.4
[M]+ 275.92125 136.4
[M]- 275.92235 136.4
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

No patent data available for this compound.