CID 10749343

4-(2,2-difluoroethyl)piperidine hydrochloride

Structural Information

Molecular Formula

C₇H₁₃F₂N

SMILES

C1CNCCC1CC(F)F

InChI

InChI=1S/C7H13F2N/c8-7(9)5-6-1-3-10-4-2-6/h6-7,10H,1-5H2

InChIKey

PTVYAFABXRRTQS-UHFFFAOYSA-N

Compound name

4-(2,2-difluoroethyl)piperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 36
Patents: 149.10161 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]+	150.108886	131.5
[M+Na]+	172.090828	136.0
[M-H]-	148.094334	128.6
[M+NH4]+	167.135433	150.2
[M+K]+	188.064768	133.9
[M+H-H2O]+	132.098870	123.6
[M+HCOO]-	194.099811	146.3
[M+CH3COO]-	208.115461	172.7
[M+Na-2H]-	170.076276	134.8
[M]+	149.10106142	121.9
[M]-	149.10215858	121.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe