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: 501
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]+	158.04234	125.1
[M+Na]+	180.02428	133.2
[M-H]-	156.02778	123.4
[M+NH4]+	175.06888	146.4
[M+K]+	195.99822	134.8
[M+H-H2O]+	140.03232	118.1
[M+HCOO]-	202.03326	146.1
[M+CH3COO]-	216.04891	180.6
[M+Na-2H]-	178.00973	130.5
[M]+	157.03451	123.2
[M]-	157.03561	123.2

Literature stripe

literature stripe

Patent stripe

patents stripe