CID 16679318

1004618-95-4

Structural Information

Molecular Formula

C₁₁H₁₃ClFN

SMILES

C1CNCCC1C2=C(C=C(C=C2)F)Cl

InChI

InChI=1S/C11H13ClFN/c12-11-7-9(13)1-2-10(11)8-3-5-14-6-4-8/h1-2,7-8,14H,3-6H2

InChIKey

XPOZNAZIOLWYPK-UHFFFAOYSA-N

Compound name

4-(2-chloro-4-fluorophenyl)piperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 213.07205 Da
Monoisotopic Mass: 2.8
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]+	214.07933	144.4
[M+Na]+	236.06127	151.5
[M-H]-	212.06477	146.3
[M+NH4]+	231.10587	161.8
[M+K]+	252.03521	145.6
[M+H-H2O]+	196.06931	137.0
[M+HCOO]-	258.07025	157.0
[M+CH3COO]-	272.08590	155.6
[M+Na-2H]-	234.04672	148.1
[M]+	213.07150	138.5
[M]-	213.07260	138.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe