CID 66696136

4-(2,2-difluoropropoxy)piperidine

Structural Information

Molecular Formula

C₈H₁₅F₂NO

SMILES

CC(COC1CCNCC1)(F)F

InChI

InChI=1S/C8H15F2NO/c1-8(9,10)6-12-7-2-4-11-5-3-7/h7,11H,2-6H2,1H3

InChIKey

JIRDTVWKYCUKHP-UHFFFAOYSA-N

Compound name

4-(2,2-difluoropropoxy)piperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 179.11217 Da
Monoisotopic Mass: 1.2
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]+	180.11945	141.7
[M+Na]+	202.10139	149.4
[M+NH4]+	197.14599	148.0
[M+K]+	218.07533	144.5
[M-H]-	178.10489	138.9
[M+Na-2H]-	200.08684	144.6
[M]+	179.11162	141.6
[M]-	179.11272	141.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe