CID 118798541

4,4,5-trifluoroazepane hydrochloride

Structural Information

Molecular Formula

C₆H₁₀F₃N

SMILES

C1CNCCC(C1F)(F)F

InChI

InChI=1S/C6H10F3N/c7-5-1-3-10-4-2-6(5,8)9/h5,10H,1-4H2

InChIKey

GCOKDTWCUXXFFE-UHFFFAOYSA-N

Compound name

4,4,5-trifluoroazepane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 153.07654 Da
Monoisotopic Mass: 1.4
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]+	154.08382	118.4
[M+Na]+	176.06576	123.5
[M-H]-	152.06926	116.4
[M+NH4]+	171.11036	137.8
[M+K]+	192.03970	125.1
[M+H-H2O]+	136.07380	110.9
[M+HCOO]-	198.07474	133.2
[M+CH3COO]-	212.09039	174.7
[M+Na-2H]-	174.05121	123.6
[M]+	153.07599	106.0
[M]-	153.07709	106.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.