CID 60795431

Methyl 2-amino-2-[2-(trifluoromethoxy)phenyl]acetate hydrochloride

Structural Information

Molecular Formula

C₁₀H₁₀F₃NO₃

SMILES

COC(=O)C(C1=CC=CC=C1OC(F)(F)F)N

InChI

InChI=1S/C10H10F3NO3/c1-16-9(15)8(14)6-4-2-3-5-7(6)17-10(11,12)13/h2-5,8H,14H2,1H3

InChIKey

YJCUCGHEHDNFQL-UHFFFAOYSA-N

Compound name

methyl 2-amino-2-[2-(trifluoromethoxy)phenyl]acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 249.06128 Da
Monoisotopic Mass: 2.1
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]+	250.068556	149.5
[M+Na]+	272.050498	156.9
[M-H]-	248.054004	148.9
[M+NH4]+	267.095103	166.1
[M+K]+	288.024438	155.4
[M+H-H2O]+	232.058540	140.9
[M+HCOO]-	294.059481	168.3
[M+CH3COO]-	308.075131	193.9
[M+Na-2H]-	270.035946	152.2
[M]+	249.06073142	146.5
[M]-	249.06182858	146.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.