CID 58990719

825643-82-1

Structural Information

Molecular Formula

C₁₀H₁₀Cl₂O₂

SMILES

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

InChI

InChI=1S/C10H10Cl2O2/c1-10(2,9(13)14)6-3-7(11)5-8(12)4-6/h3-5H,1-2H3,(H,13,14)

InChIKey

ROCPJVPEURDFOW-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 232.00578 Da
Monoisotopic Mass: 3.6
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]+	233.013056	143.7
[M+Na]+	254.994998	153.8
[M-H]-	230.998504	146.2
[M+NH4]+	250.039603	162.9
[M+K]+	270.968938	148.6
[M+H-H2O]+	215.003040	140.9
[M+HCOO]-	277.003981	155.1
[M+CH3COO]-	291.019631	186.9
[M+Na-2H]-	252.980446	148.1
[M]+	232.00523142	147.1
[M]-	232.00632858	147.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe