CID 22889353

186748-46-9

Structural Information

Molecular Formula

C₁₀H₁₁BrO₂

SMILES

CC1=CC(=CC(=C1CC(=O)O)C)Br

InChI

InChI=1S/C10H11BrO2/c1-6-3-8(11)4-7(2)9(6)5-10(12)13/h3-4H,5H2,1-2H3,(H,12,13)

InChIKey

ARQKHJYNMJGZET-UHFFFAOYSA-N

Compound name

2-(4-bromo-2,6-dimethylphenyl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 52
Patents: 241.99425 Da
Monoisotopic Mass: 2.8
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]+	243.00153	142.9
[M+Na]+	264.98347	146.4
[M+NH4]+	260.02807	147.3
[M+K]+	280.95741	146.8
[M-H]-	240.98697	142.9
[M+Na-2H]-	262.96892	145.6
[M]+	241.99370	142.2
[M]-	241.99480	142.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe