CID 46737914

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

Structural Information

Molecular Formula
C8H4BrNO2
SMILES
C1=C(C=NC2=C1OC(=C2)C=O)Br
InChI
InChI=1S/C8H4BrNO2/c9-5-1-8-7(10-3-5)2-6(4-11)12-8/h1-4H
InChIKey
GKQNDTWNODMNSB-UHFFFAOYSA-N
Compound name
6-bromofuro[3,2-b]pyridine-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

224.94254 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.94982 135.5
[M+Na]+ 247.93176 150.9
[M-H]- 223.93526 143.2
[M+NH4]+ 242.97636 158.2
[M+K]+ 263.90570 141.3
[M+H-H2O]+ 207.93980 136.2
[M+HCOO]- 269.94074 158.5
[M+CH3COO]- 283.95639 152.8
[M+Na-2H]- 245.91721 146.0
[M]+ 224.94199 158.6
[M]- 224.94309 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

patents stripe