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

53
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

literature stripe

Patent stripe

patents stripe