CID 49852166

1423015-69-3

Structural Information

Molecular Formula
C5H9F2N
SMILES
C1C[C@H](NC1)C(F)F
InChI
InChI=1S/C5H9F2N/c6-5(7)4-2-1-3-8-4/h4-5,8H,1-3H2/t4-/m0/s1
InChIKey
BRJUDDAYKBMPMV-BYPYZUCNSA-N
Compound name
(2S)-2-(difluoromethyl)pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

121.070305 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 122.07758 122.3
[M+Na]+ 144.05952 128.6
[M-H]- 120.06303 120.0
[M+NH4]+ 139.10413 144.0
[M+K]+ 160.03346 127.2
[M+H-H2O]+ 104.06756 115.0
[M+HCOO]- 166.06851 140.0
[M+CH3COO]- 180.08416 166.5
[M+Na-2H]- 142.04497 125.3
[M]+ 121.06976 114.2
[M]- 121.07085 114.2
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