CID 83679909

1417553-73-1

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

5
Patents

214.95819 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.965466 134.9
[M+Na]+ 237.947408 146.5
[M-H]- 213.950914 141.9
[M+NH4]+ 232.992013 154.3
[M+K]+ 253.921348 139.1
[M+H-H2O]+ 197.955450 134.9
[M+HCOO]- 259.956391 152.2
[M+CH3COO]- 273.972041 150.4
[M+Na-2H]- 235.932856 146.8
[M]+ 214.95764142 153.7
[M]- 214.95873858 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