CID 65988039

1353636-73-3

Structural Information

Molecular Formula

C₁₁H₁₁FO₃

SMILES

C1C(CC1(C2=CC=C(C=C2)F)C(=O)O)O

InChI

InChI=1S/C11H11FO3/c12-8-3-1-7(2-4-8)11(10(14)15)5-9(13)6-11/h1-4,9,13H,5-6H2,(H,14,15)

InChIKey

GLMOPVQMTLKNAR-UHFFFAOYSA-N

Compound name

1-(4-fluorophenyl)-3-hydroxycyclobutane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 210.06923 Da
Monoisotopic Mass: 1.2
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]+	211.076506	143.7
[M+Na]+	233.058448	150.3
[M-H]-	209.061954	146.9
[M+NH4]+	228.103053	156.6
[M+K]+	249.032388	150.5
[M+H-H2O]+	193.066490	133.0
[M+HCOO]-	255.067431	161.6
[M+CH3COO]-	269.083081	184.4
[M+Na-2H]-	231.043896	147.2
[M]+	210.06868142	149.4
[M]-	210.06977858	149.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe