CID 2782382

104863-67-4

Structural Information

Molecular Formula

C₄H₆F₃NO₂

SMILES

CN(C(=O)C(F)(F)F)OC

InChI

InChI=1S/C4H6F3NO2/c1-8(10-2)3(9)4(5,6)7/h1-2H3

InChIKey

JDBJZZTZYKUFFK-UHFFFAOYSA-N

Compound name

2,2,2-trifluoro-N-methoxy-N-methylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 447
Patents: 157.03506 Da
Monoisotopic Mass: 0.9
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]+	158.042336	125.1
[M+Na]+	180.024278	133.2
[M-H]-	156.027784	123.4
[M+NH4]+	175.068883	146.4
[M+K]+	195.998218	134.8
[M+H-H2O]+	140.032320	118.1
[M+HCOO]-	202.033261	146.1
[M+CH3COO]-	216.048911	180.6
[M+Na-2H]-	178.009726	130.5
[M]+	157.03451142	123.2
[M]-	157.03560858	123.2

Literature stripe

literature stripe

Patent stripe

patents stripe