CID 87969711

Refchem:818511

Structural Information

Molecular Formula

C₃H₄F₃NO₂

SMILES

CNOC(=O)C(F)(F)F

InChI

InChI=1S/C3H4F3NO2/c1-7-9-2(8)3(4,5)6/h7H,1H3

InChIKey

CCXHPPYZHXPNNG-UHFFFAOYSA-N

Compound name

methylamino 2,2,2-trifluoroacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 24
Patents: 143.01941 Da
Monoisotopic Mass: 1.0
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	121.0
[M+Na]+	166.008628	129.3
[M-H]-	142.012134	118.0
[M+NH4]+	161.053233	142.2
[M+K]+	181.982568	129.7
[M+H-H2O]+	126.016670	114.3
[M+HCOO]-	188.017611	141.8
[M+CH3COO]-	202.033261	174.0
[M+Na-2H]-	163.994076	127.6
[M]+	143.01886142	117.4
[M]-	143.01995858	117.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe