CID 13354029

7-bromo-2h,3h-[1,4]dioxino[2,3-b]pyridine

Structural Information

Molecular Formula
C7H6BrNO2
SMILES
C1COC2=C(O1)C=C(C=N2)Br
InChI
InChI=1S/C7H6BrNO2/c8-5-3-6-7(9-4-5)11-2-1-10-6/h3-4H,1-2H2
InChIKey
PMNCDNRJLYPTDB-UHFFFAOYSA-N
Compound name
7-bromo-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

279
Patents

214.95819 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.96547 134.9
[M+Na]+ 237.94741 146.5
[M-H]- 213.95091 141.9
[M+NH4]+ 232.99201 154.3
[M+K]+ 253.92135 139.1
[M+H-H2O]+ 197.95545 134.9
[M+HCOO]- 259.95639 152.2
[M+CH3COO]- 273.97204 150.4
[M+Na-2H]- 235.93286 146.8
[M]+ 214.95764 153.7
[M]- 214.95874 153.7
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