CID 49761624

5-fluoro-4-methyl-1h-pyrrolo[2,3-b]pyridine

Structural Information

Molecular Formula
C8H7FN2
SMILES
CC1=C2C=CNC2=NC=C1F
InChI
InChI=1S/C8H7FN2/c1-5-6-2-3-10-8(6)11-4-7(5)9/h2-4H,1H3,(H,10,11)
InChIKey
VUPPZIXSDNWZIT-UHFFFAOYSA-N
Compound name
5-fluoro-4-methyl-1H-pyrrolo[2,3-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

150.05933 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.06661 125.7
[M+Na]+ 173.04855 137.7
[M-H]- 149.05205 126.0
[M+NH4]+ 168.09315 147.1
[M+K]+ 189.02249 133.5
[M+H-H2O]+ 133.05659 118.7
[M+HCOO]- 195.05753 147.6
[M+CH3COO]- 209.07318 140.1
[M+Na-2H]- 171.03400 133.6
[M]+ 150.05878 125.2
[M]- 150.05988 125.2
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