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: 10
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]+	255.00153	144.8
[M+Na]+	276.98347	144.2
[M+NH4]+	272.02807	146.2
[M+K]+	292.95741	146.2
[M-H]-	252.98697	143.7
[M+Na-2H]-	274.96892	146.3
[M]+	253.99370	142.2
[M]-	253.99480	142.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe