CID 71741921

1363405-64-4

Structural Information

Molecular Formula
C5H7FN2
SMILES
C1CNCC1(C#N)F
InChI
InChI=1S/C5H7FN2/c6-5(3-7)1-2-8-4-5/h8H,1-2,4H2
InChIKey
KSPZEMCRWJMWJF-UHFFFAOYSA-N
Compound name
3-fluoropyrrolidine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

114.059326 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.06660 118.2
[M+Na]+ 137.04854 127.9
[M-H]- 113.05205 117.8
[M+NH4]+ 132.09315 139.9
[M+K]+ 153.02248 124.8
[M+H-H2O]+ 97.056586 105.8
[M+HCOO]- 159.05753 135.0
[M+CH3COO]- 173.07318 177.7
[M+Na-2H]- 135.03399 124.3
[M]+ 114.05878 107.9
[M]- 114.05987 107.9
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