CID 53412865

4-fluoro-6-methoxy-1h-pyrrolo[2,3-b]pyridine

Structural Information

Molecular Formula
C8H7FN2O
SMILES
COC1=NC2=C(C=CN2)C(=C1)F
InChI
InChI=1S/C8H7FN2O/c1-12-7-4-6(9)5-2-3-10-8(5)11-7/h2-4H,1H3,(H,10,11)
InChIKey
WPXOSPLQDHLVRF-UHFFFAOYSA-N
Compound name
4-fluoro-6-methoxy-1H-pyrrolo[2,3-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

166.05424 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.061516 128.9
[M+Na]+ 189.043458 140.7
[M-H]- 165.046964 129.2
[M+NH4]+ 184.088063 149.6
[M+K]+ 205.017398 137.1
[M+H-H2O]+ 149.051500 121.7
[M+HCOO]- 211.052441 151.0
[M+CH3COO]- 225.068091 143.1
[M+Na-2H]- 187.028906 136.8
[M]+ 166.05369142 129.8
[M]- 166.05478858 129.8
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