CID 85949641

6716-99-0

Structural Information

Molecular Formula

C₁₁H₁₃FN₂O

SMILES

C1CN(CCC1C2=CC=C(C=C2)F)N=O

InChI

InChI=1S/C11H13FN2O/c12-11-3-1-9(2-4-11)10-5-7-14(13-15)8-6-10/h1-4,10H,5-8H2

InChIKey

KKMKYPICWXGGEZ-UHFFFAOYSA-N

Compound name

4-(4-fluorophenyl)-1-nitrosopiperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 208.1012 Da
Monoisotopic Mass: 2.7
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]+	209.10848	143.5
[M+Na]+	231.09042	150.0
[M-H]-	207.09392	148.4
[M+NH4]+	226.13502	161.1
[M+K]+	247.06436	147.6
[M+H-H2O]+	191.09846	134.3
[M+HCOO]-	253.09940	165.1
[M+CH3COO]-	267.11505	190.2
[M+Na-2H]-	229.07587	149.0
[M]+	208.10065	139.2
[M]-	208.10175	139.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe