CID 2733237

214262-89-2

Structural Information

Molecular Formula

C₁₂H₁₂FN

SMILES

C1CCC(C1)(C#N)C2=CC=CC=C2F

InChI

InChI=1S/C12H12FN/c13-11-6-2-1-5-10(11)12(9-14)7-3-4-8-12/h1-2,5-6H,3-4,7-8H2

InChIKey

KFRPRFWZCDHYKA-UHFFFAOYSA-N

Compound name

1-(2-fluorophenyl)cyclopentane-1-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 31
Patents: 189.09538 Da
Monoisotopic Mass: 3.1
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]+	190.10266	141.6
[M+Na]+	212.08460	152.1
[M-H]-	188.08810	146.1
[M+NH4]+	207.12920	162.5
[M+K]+	228.05854	145.8
[M+H-H2O]+	172.09264	128.5
[M+HCOO]-	234.09358	160.3
[M+CH3COO]-	248.10923	153.6
[M+Na-2H]-	210.07005	145.8
[M]+	189.09483	132.9
[M]-	189.09593	132.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe