CID 82612925

1260752-10-0

Structural Information

Molecular Formula

C₁₁H₁₀F₂O₂

SMILES

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

InChI

InChI=1S/C11H10F2O2/c12-7-2-3-9(13)8(6-7)11(10(14)15)4-1-5-11/h2-3,6H,1,4-5H2,(H,14,15)

InChIKey

AOOXECYNGJSYAV-UHFFFAOYSA-N

Compound name

1-(2,5-difluorophenyl)cyclobutane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 212.06488 Da
Monoisotopic Mass: 2.5
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]+	213.072156	142.8
[M+Na]+	235.054098	150.1
[M-H]-	211.057604	146.0
[M+NH4]+	230.098703	156.3
[M+K]+	251.028038	150.0
[M+H-H2O]+	195.062140	131.1
[M+HCOO]-	257.063081	160.9
[M+CH3COO]-	271.078731	187.4
[M+Na-2H]-	233.039546	146.2
[M]+	212.06433142	147.7
[M]-	212.06542858	147.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe