CID 736124

106795-72-6

Structural Information

Molecular Formula

C₁₃H₁₄FN

SMILES

C1CCC(CC1)(C#N)C2=CC=CC=C2F

InChI

InChI=1S/C13H14FN/c14-12-7-3-2-6-11(12)13(10-15)8-4-1-5-9-13/h2-3,6-7H,1,4-5,8-9H2

InChIKey

NLLWMLADVNXWKT-UHFFFAOYSA-N

Compound name

1-(2-fluorophenyl)cyclohexane-1-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 30
Patents: 203.11102 Da
Monoisotopic Mass: 3.6
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]+	204.11830	145.3
[M+Na]+	226.10024	154.4
[M-H]-	202.10374	149.5
[M+NH4]+	221.14484	164.0
[M+K]+	242.07418	148.1
[M+H-H2O]+	186.10828	131.9
[M+HCOO]-	248.10922	161.7
[M+CH3COO]-	262.12487	156.2
[M+Na-2H]-	224.08569	150.3
[M]+	203.11047	134.9
[M]-	203.11157	134.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe