CID 3865560

2-(4-fluorophenyl)pyrrolidine

Structural Information

Molecular Formula
C10H12FN
SMILES
C1CC(NC1)C2=CC=C(C=C2)F
InChI
InChI=1S/C10H12FN/c11-9-5-3-8(4-6-9)10-2-1-7-12-10/h3-6,10,12H,1-2,7H2
InChIKey
ZDCXMSDSTZZWAX-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

196
Patents

165.09538 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.102656 133.7
[M+Na]+ 188.084598 140.5
[M-H]- 164.088104 136.1
[M+NH4]+ 183.129203 153.8
[M+K]+ 204.058538 136.8
[M+H-H2O]+ 148.092640 126.1
[M+HCOO]- 210.093581 153.5
[M+CH3COO]- 224.109231 146.2
[M+Na-2H]- 186.070046 137.6
[M]+ 165.09483142 127.2
[M]- 165.09592858 127.2
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