CID 165791816

2-bromo-5h,7h-furo[3,4-b]pyridin-5-one

Structural Information

Molecular Formula
C7H4BrNO2
SMILES
C1C2=C(C=CC(=N2)Br)C(=O)O1
InChI
InChI=1S/C7H4BrNO2/c8-6-2-1-4-5(9-6)3-11-7(4)10/h1-2H,3H2
InChIKey
CNODPXLYSBYVKE-UHFFFAOYSA-N
Compound name
2-bromo-7H-furo[3,4-b]pyridin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.94254 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.94982 134.3
[M+Na]+ 235.93176 148.2
[M-H]- 211.93526 141.5
[M+NH4]+ 230.97636 157.2
[M+K]+ 251.90570 139.1
[M+H-H2O]+ 195.93980 135.1
[M+HCOO]- 257.94074 154.9
[M+CH3COO]- 271.95639 150.9
[M+Na-2H]- 233.91721 143.5
[M]+ 212.94199 154.3
[M]- 212.94309 154.3
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

No patent data available for this compound.