CID 69590654

Schembl5858306

Structural Information

Molecular Formula

C₁₀H₁₀Br₂O₃

SMILES

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

InChI

InChI=1S/C10H10Br2O3/c1-10(2,9(14)15)5-3-6(11)8(13)7(12)4-5/h3-4,13H,1-2H3,(H,14,15)

InChIKey

RVJWOUXEJPXIHX-UHFFFAOYSA-N

Compound name

2-(3,5-dibromo-4-hydroxyphenyl)-2-methylpropanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 335.89966 Da
Monoisotopic Mass: 3.3
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]+	336.906936	152.1
[M+Na]+	358.888878	162.5
[M-H]-	334.892384	156.9
[M+NH4]+	353.933483	169.0
[M+K]+	374.862818	146.5
[M+H-H2O]+	318.896920	159.9
[M+HCOO]-	380.897861	164.2
[M+CH3COO]-	394.913511	205.9
[M+Na-2H]-	356.874326	156.7
[M]+	335.89911142	185.6
[M]-	335.90020858	185.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe