CID 82597849

2309468-73-1

Structural Information

Molecular Formula

C₆H₁₀F₃NO

SMILES

C1COCCNC1C(F)(F)F

InChI

InChI=1S/C6H10F3NO/c7-6(8,9)5-1-3-11-4-2-10-5/h5,10H,1-4H2

InChIKey

FQHKLKBBYSZVCQ-UHFFFAOYSA-N

Compound name

5-(trifluoromethyl)-1,4-oxazepane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 169.07144 Da
Monoisotopic Mass: 1.0
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]+	170.07872	133.4
[M+Na]+	192.06066	139.0
[M+NH4]+	187.10526	138.2
[M+K]+	208.03460	136.9
[M-H]-	168.06416	130.3
[M+Na-2H]-	190.04611	135.7
[M]+	169.07089	132.9
[M]-	169.07199	132.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.