CID 16769919

1-(4-bromophenyl)cyclobutanecarboxylic acid

Structural Information

Molecular Formula

C₁₁H₁₁BrO₂

SMILES

C1CC(C1)(C2=CC=C(C=C2)Br)C(=O)O

InChI

InChI=1S/C11H11BrO2/c12-9-4-2-8(3-5-9)11(10(13)14)6-1-7-11/h2-5H,1,6-7H2,(H,13,14)

InChIKey

CZCIJQWZBHQMNS-UHFFFAOYSA-N

Compound name

1-(4-bromophenyl)cyclobutane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 166
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	140.6
[M+Na]+	276.983468	149.9
[M-H]-	252.986974	148.5
[M+NH4]+	272.028073	156.2
[M+K]+	292.957408	142.1
[M+H-H2O]+	236.991510	137.0
[M+HCOO]-	298.992451	158.8
[M+CH3COO]-	313.008101	190.9
[M+Na-2H]-	274.968916	147.5
[M]+	253.99370142	165.2
[M]-	253.99479858	165.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe