CID 49761553

8-iodo-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine

Structural Information

Molecular Formula
C7H6INO2
SMILES
C1COC2=NC=CC(=C2O1)I
InChI
InChI=1S/C7H6INO2/c8-5-1-2-9-7-6(5)10-3-4-11-7/h1-2H,3-4H2
InChIKey
VVTIBPQDMUEQCQ-UHFFFAOYSA-N
Compound name
8-iodo-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

262.94434 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.951616 134.0
[M+Na]+ 285.933558 135.4
[M-H]- 261.937064 131.1
[M+NH4]+ 280.978163 147.1
[M+K]+ 301.907498 141.8
[M+H-H2O]+ 245.941600 123.8
[M+HCOO]- 307.942541 148.4
[M+CH3COO]- 321.958191 143.5
[M+Na-2H]- 283.919006 132.9
[M]+ 262.94379142 131.5
[M]- 262.94488858 131.5
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

patents stripe