CID 2797

Clofibric acid

Structural Information

Molecular Formula

C₁₀H₁₁ClO₃

SMILES

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

InChI

InChI=1S/C10H11ClO3/c1-10(2,9(12)13)14-8-5-3-7(11)4-6-8/h3-6H,1-2H3,(H,12,13)

InChIKey

TXCGAZHTZHNUAI-UHFFFAOYSA-N

Compound name

2-(4-chlorophenoxy)-2-methylpropanoic acid

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 1639
References: 7587
Patents: 214.03967 Da
Monoisotopic Mass: 2.6
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]+	215.04695	143.1
[M+Na]+	237.02889	155.5
[M+NH4]+	232.07349	150.8
[M+K]+	253.00283	150.4
[M-H]-	213.03239	143.4
[M+Na-2H]-	235.01434	149.0
[M]+	214.03912	145.2
[M]-	214.04022	145.2

Literature stripe

literature stripe

Patent stripe

patents stripe