CID 24697858

2-(2,5-difluorophenyl)pyrrolidine

Structural Information

Molecular Formula
C10H11F2N
SMILES
C1CC(NC1)C2=C(C=CC(=C2)F)F
InChI
InChI=1S/C10H11F2N/c11-7-3-4-9(12)8(6-7)10-2-1-5-13-10/h3-4,6,10,13H,1-2,5H2
InChIKey
NCXSNNVYILYEBC-UHFFFAOYSA-N
Compound name
2-(2,5-difluorophenyl)pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

546
Patents

183.08595 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.093226 136.1
[M+Na]+ 206.075168 143.9
[M-H]- 182.078674 137.5
[M+NH4]+ 201.119773 155.8
[M+K]+ 222.049108 139.7
[M+H-H2O]+ 166.083210 127.8
[M+HCOO]- 228.084151 154.8
[M+CH3COO]- 242.099801 178.3
[M+Na-2H]- 204.060616 138.7
[M]+ 183.08540142 128.9
[M]- 183.08649858 128.9
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