CID 17830040

3,4-difluoropyrrolidine hydrochloride

Structural Information

Molecular Formula
C4H7F2N
SMILES
C1C(C(CN1)F)F
InChI
InChI=1S/C4H7F2N/c5-3-1-7-2-4(3)6/h3-4,7H,1-2H2
InChIKey
PHFTVEADDMICLE-UHFFFAOYSA-N
Compound name
3,4-difluoropyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

182
Patents

107.05466 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 108.06194 116.7
[M+Na]+ 130.04388 124.5
[M-H]- 106.04738 114.8
[M+NH4]+ 125.08848 139.3
[M+K]+ 146.01782 122.9
[M+H-H2O]+ 90.051920 109.8
[M+HCOO]- 152.05286 135.7
[M+CH3COO]- 166.06851 163.7
[M+Na-2H]- 128.02933 120.8
[M]+ 107.05411 109.2
[M]- 107.05521 109.2
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