CID 89814304

1613330-60-1

Structural Information

Molecular Formula

SMILES

CC1(CC(C1)C(=O)O)F

InChI

InChI=1S/C6H9FO2/c1-6(7)2-4(3-6)5(8)9/h4H,2-3H2,1H3,(H,8,9)

InChIKey

ZABOQQDLGWHBIE-UHFFFAOYSA-N

Compound name

3-fluoro-3-methylcyclobutane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 46
Patents: 132.05865 Da
Monoisotopic Mass: 0.8
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]+	133.06593	124.8
[M+Na]+	155.04787	131.7
[M-H]-	131.05137	126.4
[M+NH4]+	150.09247	141.6
[M+K]+	171.02181	133.9
[M+H-H2O]+	115.05591	116.0
[M+HCOO]-	177.05685	144.0
[M+CH3COO]-	191.07250	173.5
[M+Na-2H]-	153.03332	129.7
[M]+	132.05810	131.0
[M]-	132.05920	131.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe