CID 54990

83335-32-4

Structural Information

Molecular Formula

C₈H₁₂F₆N₂O

SMILES

C(CC(F)(F)F)CN(CCCC(F)(F)F)N=O

InChI

InChI=1S/C8H12F6N2O/c9-7(10,11)3-1-5-16(15-17)6-2-4-8(12,13)14/h1-6H2

InChIKey

USZDDJLVNDSPSY-UHFFFAOYSA-N

Compound name

N,N-bis(4,4,4-trifluorobutyl)nitrous amide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 266.0854 Da
Monoisotopic Mass: 3.8
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]+	267.09268	168.4
[M+Na]+	289.07462	170.7
[M+NH4]+	284.11922	169.8
[M+K]+	305.04856	167.2
[M-H]-	265.07812	160.8
[M+Na-2H]-	287.06007	167.2
[M]+	266.08485	166.0
[M]-	266.08595	166.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.