CID 62394151

1250140-56-7

Structural Information

Molecular Formula

C₁₁H₁₃FO₂

SMILES

CC1=C(C=CC(=C1)C(C)(C)C(=O)O)F

InChI

InChI=1S/C11H13FO2/c1-7-6-8(4-5-9(7)12)11(2,3)10(13)14/h4-6H,1-3H3,(H,13,14)

InChIKey

RILHNSGERUADSQ-UHFFFAOYSA-N

Compound name

2-(4-fluoro-3-methylphenyl)-2-methylpropanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 196.08995 Da
Monoisotopic Mass: 2.8
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]+	197.097226	139.8
[M+Na]+	219.079168	148.3
[M-H]-	195.082674	141.4
[M+NH4]+	214.123773	159.0
[M+K]+	235.053108	146.0
[M+H-H2O]+	179.087210	134.2
[M+HCOO]-	241.088151	159.3
[M+CH3COO]-	255.103801	184.1
[M+Na-2H]-	217.064616	144.1
[M]+	196.08940142	139.3
[M]-	196.09049858	139.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe