CID 49761639

5-fluoro-1h-pyrrolo[2,3-b]pyridine-6-carbaldehyde

Structural Information

Molecular Formula
C8H5FN2O
SMILES
C1=CNC2=NC(=C(C=C21)F)C=O
InChI
InChI=1S/C8H5FN2O/c9-6-3-5-1-2-10-8(5)11-7(6)4-12/h1-4H,(H,10,11)
InChIKey
DNYPXIDCAJUCTO-UHFFFAOYSA-N
Compound name
5-fluoro-1H-pyrrolo[2,3-b]pyridine-6-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

164.03859 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.04587 127.9
[M+Na]+ 187.02781 140.0
[M-H]- 163.03131 128.2
[M+NH4]+ 182.07241 148.5
[M+K]+ 203.00175 135.8
[M+H-H2O]+ 147.03585 120.7
[M+HCOO]- 209.03679 150.2
[M+CH3COO]- 223.05244 142.2
[M+Na-2H]- 185.01326 135.8
[M]+ 164.03804 128.1
[M]- 164.03914 128.1
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