CID 43090913

2-(2,4-dibromophenoxy)-2-phenylacetic acid

Structural Information

Molecular Formula

C₁₄H₁₀Br₂O₃

SMILES

C1=CC=C(C=C1)C(C(=O)O)OC2=C(C=C(C=C2)Br)Br

InChI

InChI=1S/C14H10Br2O3/c15-10-6-7-12(11(16)8-10)19-13(14(17)18)9-4-2-1-3-5-9/h1-8,13H,(H,17,18)

InChIKey

MNRRQLBRSIPGNL-UHFFFAOYSA-N

Compound name

2-(2,4-dibromophenoxy)-2-phenylacetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 383.89966 Da
Monoisotopic Mass: 4.6
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]+	384.906936	161.9
[M+Na]+	406.888878	170.5
[M-H]-	382.892384	169.6
[M+NH4]+	401.933483	177.1
[M+K]+	422.862818	155.7
[M+H-H2O]+	366.896920	169.1
[M+HCOO]-	428.897861	175.8
[M+CH3COO]-	442.913511	213.0
[M+Na-2H]-	404.874326	166.1
[M]+	383.89911142	195.9
[M]-	383.90020858	195.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.