CID 50987380

5-bromofuro[2,3-b]pyridine-2-carbaldehyde

Structural Information

Molecular Formula
C8H4BrNO2
SMILES
C1=C2C=C(OC2=NC=C1Br)C=O
InChI
InChI=1S/C8H4BrNO2/c9-6-1-5-2-7(4-11)12-8(5)10-3-6/h1-4H
InChIKey
FMQUMCDYSZFKLX-UHFFFAOYSA-N
Compound name
5-bromofuro[2,3-b]pyridine-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.94254 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.949816 135.5
[M+Na]+ 247.931758 150.9
[M-H]- 223.935264 143.2
[M+NH4]+ 242.976363 158.2
[M+K]+ 263.905698 141.3
[M+H-H2O]+ 207.939800 136.2
[M+HCOO]- 269.940741 158.5
[M+CH3COO]- 283.956391 152.8
[M+Na-2H]- 245.917206 146.0
[M]+ 224.94199142 158.6
[M]- 224.94308858 158.6
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.