CID 15372180

1-(4-fluorophenyl)pyrrolidine

Structural Information

Molecular Formula
C10H12FN
SMILES
C1CCN(C1)C2=CC=C(C=C2)F
InChI
InChI=1S/C10H12FN/c11-9-3-5-10(6-4-9)12-7-1-2-8-12/h3-6H,1-2,7-8H2
InChIKey
IIYRJYZDFOBAKW-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

74
Patents

165.09538 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.102656 133.2
[M+Na]+ 188.084598 140.4
[M-H]- 164.088104 136.9
[M+NH4]+ 183.129203 154.0
[M+K]+ 204.058538 137.6
[M+H-H2O]+ 148.092640 125.3
[M+HCOO]- 210.093581 154.5
[M+CH3COO]- 224.109231 146.4
[M+Na-2H]- 186.070046 137.5
[M]+ 165.09483142 128.5
[M]- 165.09592858 128.5
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