CID 3084931

50667-69-1

Structural Information

Molecular Formula

C₃H₄F₃NO₂

SMILES

C(NC(=O)C(F)(F)F)O

InChI

InChI=1S/C3H4F3NO2/c4-3(5,6)2(9)7-1-8/h8H,1H2,(H,7,9)

InChIKey

URUWXKFAEKTWKG-UHFFFAOYSA-N

Compound name

2,2,2-trifluoro-N-(hydroxymethyl)acetamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 270
Patents: 143.01941 Da
Monoisotopic Mass: 0.1
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]+	144.026686	121.6
[M+Na]+	166.008628	129.5
[M-H]-	142.012134	117.1
[M+NH4]+	161.053233	142.1
[M+K]+	181.982568	128.9
[M+H-H2O]+	126.016670	115.1
[M+HCOO]-	188.017611	140.9
[M+CH3COO]-	202.033261	171.3
[M+Na-2H]-	163.994076	127.6
[M]+	143.01886142	116.1
[M]-	143.01995858	116.1

Literature stripe

literature stripe

Patent stripe

patents stripe