CID 105429314

4,4-difluoro-3,5-dimethylpiperidine hydrochloride

Structural Information

Molecular Formula

C₇H₁₃F₂N

SMILES

CC1CNCC(C1(F)F)C

InChI

InChI=1S/C7H13F2N/c1-5-3-10-4-6(2)7(5,8)9/h5-6,10H,3-4H2,1-2H3

InChIKey

ZYRQFDWQZXHTCE-UHFFFAOYSA-N

Compound name

4,4-difluoro-3,5-dimethylpiperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 94
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]+	150.10889	134.1
[M+Na]+	172.09083	143.6
[M+NH4]+	167.13543	142.7
[M+K]+	188.06477	136.0
[M-H]-	148.09433	132.5
[M+Na-2H]-	170.07628	138.8
[M]+	149.10106	134.8
[M]-	149.10216	134.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe