CID 16228268

179411-84-8

Structural Information

Molecular Formula

C₁₁H₁₁FO₂

SMILES

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

InChI

InChI=1S/C11H11FO2/c12-9-4-1-3-8(7-9)11(10(13)14)5-2-6-11/h1,3-4,7H,2,5-6H2,(H,13,14)

InChIKey

AHZJCDUFTPVPFM-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 194.07431 Da
Monoisotopic Mass: 2.4
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]+	195.08159	139.7
[M+Na]+	217.06353	146.2
[M-H]-	193.06703	144.0
[M+NH4]+	212.10813	153.8
[M+K]+	233.03747	146.5
[M+H-H2O]+	177.07157	128.8
[M+HCOO]-	239.07251	159.0
[M+CH3COO]-	253.08816	183.7
[M+Na-2H]-	215.04898	144.5
[M]+	194.07376	145.4
[M]-	194.07486	145.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe