CID 18946738

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

Structural Information

Molecular Formula
C8H5FN2O
SMILES
C1=C(C=NC2=C1C(=CN2)C=O)F
InChI
InChI=1S/C8H5FN2O/c9-6-1-7-5(4-12)2-10-8(7)11-3-6/h1-4H,(H,10,11)
InChIKey
RPBDGPLCGCJDOM-UHFFFAOYSA-N
Compound name
5-fluoro-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

164.03859 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.045866 127.9
[M+Na]+ 187.027808 140.0
[M-H]- 163.031314 128.2
[M+NH4]+ 182.072413 148.5
[M+K]+ 203.001748 135.8
[M+H-H2O]+ 147.035850 120.7
[M+HCOO]- 209.036791 150.2
[M+CH3COO]- 223.052441 142.2
[M+Na-2H]- 185.013256 135.8
[M]+ 164.03804142 128.1
[M]- 164.03913858 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

literature stripe

Patent stripe

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