CID 83693354

1782696-88-1

Structural Information

Molecular Formula

C₁₁H₁₁BrO₂

SMILES

C1CC1(CC(=O)O)C2=CC=CC=C2Br

InChI

InChI=1S/C11H11BrO2/c12-9-4-2-1-3-8(9)11(5-6-11)7-10(13)14/h1-4H,5-7H2,(H,13,14)

InChIKey

ZXEZWDCKMXWNNC-UHFFFAOYSA-N

Compound name

2-[1-(2-bromophenyl)cyclopropyl]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 253.99425 Da
Monoisotopic Mass: 3.0
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]+	255.001526	146.8
[M+Na]+	276.983468	159.4
[M-H]-	252.986974	155.8
[M+NH4]+	272.028073	164.1
[M+K]+	292.957408	148.4
[M+H-H2O]+	236.991510	147.4
[M+HCOO]-	298.992451	166.7
[M+CH3COO]-	313.008101	191.1
[M+Na-2H]-	274.968916	154.0
[M]+	253.99370142	166.9
[M]-	253.99479858	166.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.