CID 72212475

5-fluoro-2-(pyrrolidin-3-yl)pyridine dihydrochloride

Structural Information

Molecular Formula
C9H11FN2
SMILES
C1CNCC1C2=NC=C(C=C2)F
InChI
InChI=1S/C9H11FN2/c10-8-1-2-9(12-6-8)7-3-4-11-5-7/h1-2,6-7,11H,3-5H2
InChIKey
AKEHUTABDJVOMC-UHFFFAOYSA-N
Compound name
5-fluoro-2-pyrrolidin-3-ylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

166.09062 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.09790 133.6
[M+Na]+ 189.07984 140.8
[M-H]- 165.08334 134.6
[M+NH4]+ 184.12444 152.3
[M+K]+ 205.05378 137.2
[M+H-H2O]+ 149.08788 125.0
[M+HCOO]- 211.08882 152.4
[M+CH3COO]- 225.10447 145.7
[M+Na-2H]- 187.06529 137.9
[M]+ 166.09007 127.3
[M]- 166.09117 127.3
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