CID 2777629

242475-26-9

Structural Information

Molecular Formula

C₉H₈F₃NO₂

SMILES

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

InChI

InChI=1S/C9H8F3NO2/c10-9(11,12)6-3-1-2-5(4-6)7(13)8(14)15/h1-4,7H,13H2,(H,14,15)

InChIKey

SRHNOGZIXICHOU-UHFFFAOYSA-N

Compound name

2-amino-2-[3-(trifluoromethyl)phenyl]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 203
Patents: 219.05072 Da
Monoisotopic Mass: -0.8
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]+	220.05800	147.0
[M+Na]+	242.03994	153.9
[M+NH4]+	237.08454	151.3
[M+K]+	258.01388	150.9
[M-H]-	218.04344	142.9
[M+Na-2H]-	240.02539	149.5
[M]+	219.05017	146.3
[M]-	219.05127	146.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe