CID 72356

5-iodo-6-amino-1,2-benzopyrone

Structural Information

Molecular Formula
C9H6INO2
SMILES
C1=CC(=O)OC2=C1C(=C(C=C2)N)I
InChI
InChI=1S/C9H6INO2/c10-9-5-1-4-8(12)13-7(5)3-2-6(9)11/h1-4H,11H2
InChIKey
WWRAFPGUBABZSD-UHFFFAOYSA-N
Compound name
6-amino-5-iodochromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

15
References

508
Patents

286.94434 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.951616 143.9
[M+Na]+ 309.933558 147.4
[M-H]- 285.937064 142.4
[M+NH4]+ 304.978163 158.7
[M+K]+ 325.907498 151.3
[M+H-H2O]+ 269.941600 134.3
[M+HCOO]- 331.942541 162.9
[M+CH3COO]- 345.958191 191.0
[M+Na-2H]- 307.919006 140.6
[M]+ 286.94379142 142.2
[M]- 286.94488858 142.2
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