CID 2774125

2-(difluoromethoxy)phenylacetic acid

Structural Information

Molecular Formula

C₉H₈F₂O₃

SMILES

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

InChI

InChI=1S/C9H8F2O3/c10-9(11)14-7-4-2-1-3-6(7)5-8(12)13/h1-4,9H,5H2,(H,12,13)

InChIKey

HQSIEUGDICOLBI-UHFFFAOYSA-N

Compound name

2-[2-(difluoromethoxy)phenyl]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 98
Patents: 202.04414 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]+	203.05142	142.4
[M+Na]+	225.03336	151.9
[M+NH4]+	220.07796	148.2
[M+K]+	241.00730	147.5
[M-H]-	201.03686	139.9
[M+Na-2H]-	223.01881	146.3
[M]+	202.04359	142.6
[M]-	202.04469	142.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe