CID 122238907

2742660-40-6

Structural Information

Molecular Formula
C5H9F2N
SMILES
C1CNCC1(CF)F
InChI
InChI=1S/C5H9F2N/c6-3-5(7)1-2-8-4-5/h8H,1-4H2
InChIKey
LBUUTEWCRSFLBA-UHFFFAOYSA-N
Compound name
3-fluoro-3-(fluoromethyl)pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

121.070305 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 122.07758 121.0
[M+Na]+ 144.05952 128.4
[M-H]- 120.06303 119.0
[M+NH4]+ 139.10413 144.8
[M+K]+ 160.03346 126.7
[M+H-H2O]+ 104.06756 114.4
[M+HCOO]- 166.06851 139.7
[M+CH3COO]- 180.08416 165.2
[M+Na-2H]- 142.04497 126.4
[M]+ 121.06976 113.8
[M]- 121.07085 113.8
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