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: 79
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	129.5
[M+Na]+	172.090828	137.1
[M-H]-	148.094334	127.8
[M+NH4]+	167.135433	151.1
[M+K]+	188.064768	135.0
[M+H-H2O]+	132.098870	123.1
[M+HCOO]-	194.099811	145.4
[M+CH3COO]-	208.115461	173.7
[M+Na-2H]-	170.076276	133.8
[M]+	149.10106142	121.7
[M]-	149.10215858	121.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe