CID 21902036

405090-30-4

Structural Information

Molecular Formula

C₁₁H₁₀FN

SMILES

C1CC(C1)(C#N)C2=CC=C(C=C2)F

InChI

InChI=1S/C11H10FN/c12-10-4-2-9(3-5-10)11(8-13)6-1-7-11/h2-5H,1,6-7H2

InChIKey

GXRILDIAHADHNS-UHFFFAOYSA-N

Compound name

1-(4-fluorophenyl)cyclobutane-1-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 73
Patents: 175.07973 Da
Monoisotopic Mass: 2.6
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]+	176.08701	131.8
[M+Na]+	198.06895	141.2
[M-H]-	174.07245	136.8
[M+NH4]+	193.11355	146.1
[M+K]+	214.04289	140.4
[M+H-H2O]+	158.07699	115.3
[M+HCOO]-	220.07793	150.0
[M+CH3COO]-	234.09358	195.4
[M+Na-2H]-	196.05440	138.3
[M]+	175.07918	132.5
[M]-	175.08028	132.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe