CID 10680214

3-[(2-fluorophenyl)methyl]pyrrolidine

Structural Information

Molecular Formula

C₁₁H₁₄FN

SMILES

C1CNCC1CC2=CC=CC=C2F

InChI

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

InChIKey

QOURVRXOUYVMGM-UHFFFAOYSA-N

Compound name

3-[(2-fluorophenyl)methyl]pyrrolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
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]+	180.11830	138.3
[M+Na]+	202.10024	144.7
[M-H]-	178.10374	140.5
[M+NH4]+	197.14484	157.9
[M+K]+	218.07418	140.7
[M+H-H2O]+	162.10828	130.5
[M+HCOO]-	224.10922	157.8
[M+CH3COO]-	238.12487	177.5
[M+Na-2H]-	200.08569	141.6
[M]+	179.11047	132.2
[M]-	179.11157	132.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe