CID 83679909

6-bromo-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine

Structural Information

Molecular Formula
C7H6BrNO2
SMILES
C1COC2=C(O1)C=CC(=N2)Br
InChI
InChI=1S/C7H6BrNO2/c8-6-2-1-5-7(9-6)11-4-3-10-5/h1-2H,3-4H2
InChIKey
QQDVANQTHRNTAE-UHFFFAOYSA-N
Compound name
6-bromo-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

214.95819 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.96547 133.8
[M+Na]+ 237.94741 138.6
[M+NH4]+ 232.99201 139.5
[M+K]+ 253.92135 139.0
[M-H]- 213.95091 137.0
[M+Na-2H]- 235.93286 137.1
[M]+ 214.95764 134.3
[M]- 214.95874 134.3
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