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

7
Annotation Hits: 1624
References: 8674
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]+	215.046946	142.0
[M+Na]+	237.028888	150.7
[M-H]-	213.032394	144.7
[M+NH4]+	232.073493	161.0
[M+K]+	253.002828	147.5
[M+H-H2O]+	197.036930	137.9
[M+HCOO]-	259.037871	158.6
[M+CH3COO]-	273.053521	183.0
[M+Na-2H]-	235.014336	147.7
[M]+	214.03912142	145.4
[M]-	214.04021858	145.4

Literature stripe

literature stripe

Patent stripe

patents stripe