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

71
Patents

107.05466 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 108.061936 116.7
[M+Na]+ 130.043878 124.5
[M-H]- 106.047384 114.8
[M+NH4]+ 125.088483 139.3
[M+K]+ 146.017818 122.9
[M+H-H2O]+ 90.051920 109.8
[M+HCOO]- 152.052861 135.7
[M+CH3COO]- 166.068511 163.7
[M+Na-2H]- 128.029326 120.8
[M]+ 107.05411142 109.2
[M]- 107.05520858 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