CID 84649293

4,4-difluoro-5-methylazepane hydrochloride

Structural Information

Molecular Formula

C₇H₁₃F₂N

SMILES

CC1CCNCCC1(F)F

InChI

InChI=1S/C7H13F2N/c1-6-2-4-10-5-3-7(6,8)9/h6,10H,2-5H2,1H3

InChIKey

KSDBKSTXUKTKSC-UHFFFAOYSA-N

Compound name

4,4-difluoro-5-methylazepane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 149.10161 Da
Monoisotopic Mass: 1.7
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	121.7
[M+Na]+	172.090828	126.4
[M-H]-	148.094334	120.9
[M+NH4]+	167.135433	141.3
[M+K]+	188.064768	128.1
[M+H-H2O]+	132.098870	115.0
[M+HCOO]-	194.099811	137.2
[M+CH3COO]-	208.115461	174.9
[M+Na-2H]-	170.076276	126.8
[M]+	149.10106142	110.8
[M]-	149.10215858	110.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe