CID 53409273

3-[(3-fluorophenyl)methyl]pyrrolidine

Structural Information

Molecular Formula

C₁₁H₁₄FN

SMILES

C1CNCC1CC2=CC(=CC=C2)F

InChI

InChI=1S/C11H14FN/c12-11-3-1-2-9(7-11)6-10-4-5-13-8-10/h1-3,7,10,13H,4-6,8H2

InChIKey

NCVRSFIRKVTHDU-UHFFFAOYSA-N

Compound name

3-[(3-fluorophenyl)methyl]pyrrolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 33
Patents: 179.11102 Da
Monoisotopic Mass: 2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	180.118296	138.3
[M+Na]+	202.100238	144.7
[M-H]-	178.103744	140.5
[M+NH4]+	197.144843	157.9
[M+K]+	218.074178	140.7
[M+H-H2O]+	162.108280	130.5
[M+HCOO]-	224.109221	157.8
[M+CH3COO]-	238.124871	177.5
[M+Na-2H]-	200.085686	141.6
[M]+	179.11047142	132.2
[M]-	179.11156858	132.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe