CID 32110

4,4'-dichlorobenzilic acid

Structural Information

Molecular Formula

C₁₄H₁₀Cl₂O₃

SMILES

C1=CC(=CC=C1C(C2=CC=C(C=C2)Cl)(C(=O)O)O)Cl

InChI

InChI=1S/C14H10Cl2O3/c15-11-5-1-9(2-6-11)14(19,13(17)18)10-3-7-12(16)8-4-10/h1-8,19H,(H,17,18)

InChIKey

LXFMMUDXRIMBHN-UHFFFAOYSA-N

Compound name

2,2-bis(4-chlorophenyl)-2-hydroxyacetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 230
Patents: 296.0007 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]+	297.007976	159.2
[M+Na]+	318.989918	168.3
[M-H]-	294.993424	163.3
[M+NH4]+	314.034523	174.6
[M+K]+	334.963858	161.8
[M+H-H2O]+	278.997960	154.7
[M+HCOO]-	340.998901	169.4
[M+CH3COO]-	355.014551	194.1
[M+Na-2H]-	316.975366	163.6
[M]+	296.00015142	161.6
[M]-	296.00124858	161.6

Literature stripe

literature stripe

Patent stripe

patents stripe