CID 129958028

1256789-75-9

Structural Information

Molecular Formula
C8H6BrNO2
SMILES
C1COC2=C(C1=O)C=CC(=N2)Br
InChI
InChI=1S/C8H6BrNO2/c9-7-2-1-5-6(11)3-4-12-8(5)10-7/h1-2H,3-4H2
InChIKey
ICJHCZCYODHLFT-UHFFFAOYSA-N
Compound name
7-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

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.965466 136.9
[M+Na]+ 249.947408 149.1
[M-H]- 225.950914 143.5
[M+NH4]+ 244.992013 157.3
[M+K]+ 265.921348 139.9
[M+H-H2O]+ 209.955450 136.9
[M+HCOO]- 271.956391 155.0
[M+CH3COO]- 285.972041 184.9
[M+Na-2H]- 247.932856 147.1
[M]+ 226.95764142 155.2
[M]- 226.95873858 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.