CID 72218533

2-(difluoromethyl)piperidine hydrochloride

Structural Information

Molecular Formula

C₆H₁₁F₂N

SMILES

C1CCNC(C1)C(F)F

InChI

InChI=1S/C6H11F2N/c7-6(8)5-3-1-2-4-9-5/h5-6,9H,1-4H2

InChIKey

NKADUAIXXKJUDE-UHFFFAOYSA-N

Compound name

2-(difluoromethyl)piperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 135.08595 Da
Monoisotopic Mass: 1.6
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]+	136.09323	126.9
[M+Na]+	158.07517	131.8
[M-H]-	134.07867	124.2
[M+NH4]+	153.11977	146.2
[M+K]+	174.04911	130.0
[M+H-H2O]+	118.08321	119.2
[M+HCOO]-	180.08415	142.1
[M+CH3COO]-	194.09980	169.7
[M+Na-2H]-	156.06062	130.7
[M]+	135.08540	117.0
[M]-	135.08650	117.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe