CID 84018401

5-bromofuro[2,3-b]pyridine-2-carboxylic acid

Structural Information

Molecular Formula
C8H4BrNO3
SMILES
C1=C2C=C(OC2=NC=C1Br)C(=O)O
InChI
InChI=1S/C8H4BrNO3/c9-5-1-4-2-6(8(11)12)13-7(4)10-3-5/h1-3H,(H,11,12)
InChIKey
SWQKJDVPDCKZEO-UHFFFAOYSA-N
Compound name
5-bromofuro[2,3-b]pyridine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.93745 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.94473 139.8
[M+Na]+ 263.92667 154.1
[M-H]- 239.93017 146.2
[M+NH4]+ 258.97127 160.9
[M+K]+ 279.90061 144.6
[M+H-H2O]+ 223.93471 140.4
[M+HCOO]- 285.93565 160.5
[M+CH3COO]- 299.95130 184.4
[M+Na-2H]- 261.91212 148.6
[M]+ 240.93690 161.8
[M]- 240.93800 161.8
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.