CID 122199009

Ethyl 6-bromo-3-hydroxyfuro[3,2-b]pyridine-2-carboxylate

Structural Information

Molecular Formula
C10H8BrNO4
SMILES
CCOC(=O)C1=C(C2=C(O1)C=C(C=N2)Br)O
InChI
InChI=1S/C10H8BrNO4/c1-2-15-10(14)9-8(13)7-6(16-9)3-5(11)4-12-7/h3-4,13H,2H2,1H3
InChIKey
RSZKXMNAKZOMKM-UHFFFAOYSA-N
Compound name
ethyl 6-bromo-3-hydroxyfuro[3,2-b]pyridine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.96368 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.970956 151.5
[M+Na]+ 307.952898 165.6
[M-H]- 283.956404 157.9
[M+NH4]+ 302.997503 171.1
[M+K]+ 323.926838 156.2
[M+H-H2O]+ 267.960940 151.6
[M+HCOO]- 329.961881 171.6
[M+CH3COO]- 343.977531 192.5
[M+Na-2H]- 305.938346 158.6
[M]+ 284.96313142 175.7
[M]- 284.96422858 175.7
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

No patent data available for this compound.