CID 13168

Nitrosomethyl-2-trifluoroethylamine

Structural Information

Molecular Formula

C₃H₅F₃N₂O

SMILES

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

InChI

InChI=1S/C3H5F3N2O/c1-8(7-9)2-3(4,5)6/h2H2,1H3

InChIKey

LMGJQNSPQYXKLA-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 142.0354 Da
Monoisotopic Mass: 1.3
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]+	143.04268	121.0
[M+Na]+	165.02462	129.2
[M-H]-	141.02812	120.7
[M+NH4]+	160.06922	143.2
[M+K]+	180.99856	130.9
[M+H-H2O]+	125.03266	113.4
[M+HCOO]-	187.03360	145.5
[M+CH3COO]-	201.04925	183.0
[M+Na-2H]-	163.01007	128.7
[M]+	142.03485	119.1
[M]-	142.03595	119.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.