CID 67374939

1055904-85-2

Structural Information

Molecular Formula

C₉H₈F₂O₃

SMILES

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

InChI

InChI=1S/C9H8F2O3/c1-14-8(9(12)13)7-5(10)3-2-4-6(7)11/h2-4,8H,1H3,(H,12,13)

InChIKey

LNMBUPFZTHMYEN-UHFFFAOYSA-N

Compound name

2-(2,6-difluorophenyl)-2-methoxyacetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
Patents: 202.04414 Da
Monoisotopic Mass: 1.6
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]+	203.05142	142.5
[M+Na]+	225.03336	152.4
[M+NH4]+	220.07796	148.3
[M+K]+	241.00730	148.1
[M-H]-	201.03686	140.1
[M+Na-2H]-	223.01881	146.2
[M]+	202.04359	142.9
[M]-	202.04469	142.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe