CID 52988096

869481-92-5

Structural Information

Molecular Formula
C4H7F2N
SMILES
C1[C@H]([C@@H](CN1)F)F
InChI
InChI=1S/C4H7F2N/c5-3-1-7-2-4(3)6/h3-4,7H,1-2H2/t3-,4-/m1/s1
InChIKey
PHFTVEADDMICLE-QWWZWVQMSA-N
Compound name
(3R,4R)-3,4-difluoropyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

89
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

No literature data available for this compound.

Patent stripe

patents stripe