CID 2782827

3,3-difluoropyrrolidine hydrochloride

Structural Information

Molecular Formula
C4H7F2N
SMILES
C1CNCC1(F)F
InChI
InChI=1S/C4H7F2N/c5-4(6)1-2-7-3-4/h7H,1-3H2
InChIKey
KVTUSMPNLUCCQO-UHFFFAOYSA-N
Compound name
3,3-difluoropyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

5385
Patents

107.05466 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 108.06194 116.4
[M+Na]+ 130.04388 124.3
[M-H]- 106.04738 114.6
[M+NH4]+ 125.08848 140.8
[M+K]+ 146.01782 122.8
[M+H-H2O]+ 90.051920 110.0
[M+HCOO]- 152.05286 135.5
[M+CH3COO]- 166.06851 162.2
[M+Na-2H]- 128.02933 122.4
[M]+ 107.05411 108.8
[M]- 107.05521 108.8
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