CID 2737050

240409-02-3

Structural Information

Molecular Formula

C₈H₇F₂NO₂

SMILES

C1=CC(=C(C=C1F)F)C(C(=O)O)N

InChI

InChI=1S/C8H7F2NO2/c9-4-1-2-5(6(10)3-4)7(11)8(12)13/h1-3,7H,11H2,(H,12,13)

InChIKey

COIWYFIMAXMSKX-UHFFFAOYSA-N

Compound name

2-amino-2-(2,4-difluorophenyl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 75
Patents: 187.04448 Da
Monoisotopic Mass: -1.5
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]+	188.05176	137.6
[M+Na]+	210.03370	146.6
[M+NH4]+	205.07830	143.4
[M+K]+	226.00764	142.8
[M-H]-	186.03720	135.8
[M+Na-2H]-	208.01915	141.3
[M]+	187.04393	137.9
[M]-	187.04503	137.9

Literature stripe

literature stripe

Patent stripe

patents stripe