CID 2764449

56442-18-3

Structural Information

Molecular Formula

C₁₄H₁₀Cl₂O₃

SMILES

C1=CC(=CC=C1C(=O)O)OCC2=CC(=C(C=C2)Cl)Cl

InChI

InChI=1S/C14H10Cl2O3/c15-12-6-1-9(7-13(12)16)8-19-11-4-2-10(3-5-11)14(17)18/h1-7H,8H2,(H,17,18)

InChIKey

ZCGYVYRMBOFTPZ-UHFFFAOYSA-N

Compound name

4-[(3,4-dichlorophenyl)methoxy]benzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 12
Patents: 296.0007 Da
Monoisotopic Mass: 4.2
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]+	297.00798	160.7
[M+Na]+	318.98992	176.9
[M+NH4]+	314.03452	169.3
[M+K]+	334.96386	168.7
[M-H]-	294.99342	164.4
[M+Na-2H]-	316.97537	169.4
[M]+	296.00015	164.8
[M]-	296.00125	164.8

Literature stripe

literature stripe

Patent stripe

patents stripe