CID 54806

82018-90-4

Structural Information

Molecular Formula

C₄H₇F₃N₂O

SMILES

CCN(CC(F)(F)F)N=O

InChI

InChI=1S/C4H7F3N2O/c1-2-9(8-10)3-4(5,6)7/h2-3H2,1H3

InChIKey

FCYWOYUDCUKTJC-UHFFFAOYSA-N

Compound name

N-ethyl-N-(2,2,2-trifluoroethyl)nitrous amide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 156.05104 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]+	157.05832	125.8
[M+Na]+	179.04026	133.5
[M-H]-	155.04376	125.3
[M+NH4]+	174.08486	147.5
[M+K]+	195.01420	135.0
[M+H-H2O]+	139.04830	118.0
[M+HCOO]-	201.04924	149.9
[M+CH3COO]-	215.06489	186.0
[M+Na-2H]-	177.02571	133.0
[M]+	156.05049	124.2
[M]-	156.05159	124.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.