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

14
Patents

262.94434 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.95162 134.0
[M+Na]+ 285.93356 135.4
[M-H]- 261.93706 131.1
[M+NH4]+ 280.97816 147.1
[M+K]+ 301.90750 141.8
[M+H-H2O]+ 245.94160 123.8
[M+HCOO]- 307.94254 148.4
[M+CH3COO]- 321.95819 143.5
[M+Na-2H]- 283.91901 132.9
[M]+ 262.94379 131.5
[M]- 262.94489 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