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]+ 122.077581 121.0
[M+Na]+ 144.059523 128.4
[M-H]- 120.063029 119.0
[M+NH4]+ 139.104128 144.8
[M+K]+ 160.033463 126.7
[M+H-H2O]+ 104.067565 114.4
[M+HCOO]- 166.068506 139.7
[M+CH3COO]- 180.084156 165.2
[M+Na-2H]- 142.044971 126.4
[M]+ 121.06975642 113.8
[M]- 121.07085358 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