CID 83655238

1512074-73-5

Structural Information

Molecular Formula

C₁₁H₁₁BrO₂

SMILES

C1C(CC1C(=O)O)C2=CC(=CC=C2)Br

InChI

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

InChIKey

IZFBCJNREVFPOJ-UHFFFAOYSA-N

Compound name

3-(3-bromophenyl)cyclobutane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 253.99425 Da
Monoisotopic Mass: 2.7
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	139.9
[M+Na]+	276.983468	149.1
[M-H]-	252.986974	147.6
[M+NH4]+	272.028073	153.9
[M+K]+	292.957408	141.3
[M+H-H2O]+	236.991510	135.2
[M+HCOO]-	298.992451	158.0
[M+CH3COO]-	313.008101	192.3
[M+Na-2H]-	274.968916	145.1
[M]+	253.99370142	164.3
[M]-	253.99479858	164.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe