CID 23087388

3-fluoro-4-(piperidin-4-yloxy)benzonitrile hydrochloride

Structural Information

Molecular Formula

C₁₂H₁₃FN₂O

SMILES

C1CNCCC1OC2=C(C=C(C=C2)C#N)F

InChI

InChI=1S/C12H13FN2O/c13-11-7-9(8-14)1-2-12(11)16-10-3-5-15-6-4-10/h1-2,7,10,15H,3-6H2

InChIKey

NIMFRKLBAOBENN-UHFFFAOYSA-N

Compound name

3-fluoro-4-piperidin-4-yloxybenzonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 57
Patents: 220.1012 Da
Monoisotopic Mass: 1.8
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]+	221.108476	145.9
[M+Na]+	243.090418	154.1
[M-H]-	219.093924	147.0
[M+NH4]+	238.135023	160.2
[M+K]+	259.064358	148.7
[M+H-H2O]+	203.098460	131.2
[M+HCOO]-	265.099401	160.0
[M+CH3COO]-	279.115051	197.0
[M+Na-2H]-	241.075866	149.5
[M]+	220.10065142	135.1
[M]-	220.10174858	135.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe