CID 17856473

4-fluoropyrrolidine-2-carbonitrile hydrochloride

Structural Information

Molecular Formula
C5H7FN2
SMILES
C1C(CNC1C#N)F
InChI
InChI=1S/C5H7FN2/c6-4-1-5(2-7)8-3-4/h4-5,8H,1,3H2
InChIKey
HHFUFGKACHWIAV-UHFFFAOYSA-N
Compound name
4-fluoropyrrolidine-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

147
Patents

114.059326 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.06660 117.8
[M+Na]+ 137.04854 127.1
[M-H]- 113.05205 117.1
[M+NH4]+ 132.09315 137.8
[M+K]+ 153.02248 124.6
[M+H-H2O]+ 97.056586 104.8
[M+HCOO]- 159.05753 134.4
[M+CH3COO]- 173.07318 179.0
[M+Na-2H]- 135.03399 122.2
[M]+ 114.05878 107.5
[M]- 114.05987 107.5
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

patents stripe