CID 73012918

1190316-09-6

Structural Information

Molecular Formula
C8H5FN2O
SMILES
C1=C(C=NC2=C1NC=C2C=O)F
InChI
InChI=1S/C8H5FN2O/c9-6-1-7-8(11-3-6)5(4-12)2-10-7/h1-4,10H
InChIKey
DRJCUVKRJGJYSU-UHFFFAOYSA-N
Compound name
6-fluoro-1H-pyrrolo[3,2-b]pyridine-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

164.03859 Da
Monoisotopic Mass

0.6
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

No literature data available for this compound.

Patent stripe

patents stripe