CID 17750666

3,5-difluoro-4-methoxyphenylacetic acid

Structural Information

Molecular Formula

C₉H₈F₂O₃

SMILES

COC1=C(C=C(C=C1F)CC(=O)O)F

InChI

InChI=1S/C9H8F2O3/c1-14-9-6(10)2-5(3-7(9)11)4-8(12)13/h2-3H,4H2,1H3,(H,12,13)

InChIKey

SEHCPLGBJGKJGK-UHFFFAOYSA-N

Compound name

2-(3,5-difluoro-4-methoxyphenyl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 53
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	142.6
[M+Na]+	225.03336	153.1
[M+NH4]+	220.07796	148.5
[M+K]+	241.00730	148.3
[M-H]-	201.03686	140.5
[M+Na-2H]-	223.01881	146.4
[M]+	202.04359	143.2
[M]-	202.04469	143.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe