CID 69864371

2551115-33-2

Structural Information

Molecular Formula

C₉H₉F₂NO₂

SMILES

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

InChI

InChI=1S/C9H9F2NO2/c1-14-9(13)8(12)5-2-6(10)4-7(11)3-5/h2-4,8H,12H2,1H3

InChIKey

MIFHKOUGNLCIIJ-UHFFFAOYSA-N

Compound name

methyl 2-amino-2-(3,5-difluorophenyl)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 201.06013 Da
Monoisotopic Mass: 1.1
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]+	202.06741	142.1
[M+Na]+	224.04935	151.4
[M+NH4]+	219.09395	148.1
[M+K]+	240.02329	147.1
[M-H]-	200.05285	140.7
[M+Na-2H]-	222.03480	146.1
[M]+	201.05958	142.6
[M]-	201.06068	142.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe