CID 84079218

1784426-86-3

Structural Information

Molecular Formula

C₁₁H₁₁BrO₂

SMILES

C1C(C1C(=O)O)CC2=CC=C(C=C2)Br

InChI

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

InChIKey

DHBXXMOQZGFJMQ-UHFFFAOYSA-N

Compound name

2-[(4-bromophenyl)methyl]cyclopropane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 253.99425 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]+	255.001526	146.4
[M+Na]+	276.983468	159.1
[M-H]-	252.986974	155.3
[M+NH4]+	272.028073	162.2
[M+K]+	292.957408	147.2
[M+H-H2O]+	236.991510	146.0
[M+HCOO]-	298.992451	166.6
[M+CH3COO]-	313.008101	192.5
[M+Na-2H]-	274.968916	152.0
[M]+	253.99370142	166.3
[M]-	253.99479858	166.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe