CID 22270728

605680-39-5

Structural Information

Molecular Formula

C₁₀H₁₀F₂O₃

SMILES

CC(C)(C(=O)O)OC1=CC(=CC(=C1)F)F

InChI

InChI=1S/C10H10F2O3/c1-10(2,9(13)14)15-8-4-6(11)3-7(12)5-8/h3-5H,1-2H3,(H,13,14)

InChIKey

MEOZVFLTMAEYFF-UHFFFAOYSA-N

Compound name

2-(3,5-difluorophenoxy)-2-methylpropanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 26
Patents: 216.0598 Da
Monoisotopic Mass: 2.1
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]+	217.06708	141.3
[M+Na]+	239.04902	150.2
[M-H]-	215.05252	141.6
[M+NH4]+	234.09362	159.5
[M+K]+	255.02296	148.2
[M+H-H2O]+	199.05706	134.6
[M+HCOO]-	261.05800	160.3
[M+CH3COO]-	275.07365	185.9
[M+Na-2H]-	237.03447	145.6
[M]+	216.05925	140.7
[M]-	216.06035	140.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe