CID 72212422

1196155-15-3

Structural Information

Molecular Formula
C8H6BrNO2
SMILES
C1COC2=C(C1=O)C=C(C=N2)Br
InChI
InChI=1S/C8H6BrNO2/c9-5-3-6-7(11)1-2-12-8(6)10-4-5/h3-4H,1-2H2
InChIKey
WBLGHRGVFAGBAR-UHFFFAOYSA-N
Compound name
6-bromo-2,3-dihydropyrano[2,3-b]pyridin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.95819 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.96547 136.9
[M+Na]+ 249.94741 149.1
[M-H]- 225.95091 143.5
[M+NH4]+ 244.99201 157.3
[M+K]+ 265.92135 139.9
[M+H-H2O]+ 209.95545 136.9
[M+HCOO]- 271.95639 155.0
[M+CH3COO]- 285.97204 184.9
[M+Na-2H]- 247.93286 147.1
[M]+ 226.95764 155.2
[M]- 226.95874 155.2
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

No patent data available for this compound.