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: 29
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]+	150.10889	123.6
[M+Na]+	172.09083	131.0
[M+NH4]+	167.13543	131.4
[M+K]+	188.06477	126.0
[M-H]-	148.09433	122.0
[M+Na-2H]-	170.07628	129.2
[M]+	149.10106	124.0
[M]-	149.10216	124.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe