CID 21540877

1508595-64-9

Structural Information

Molecular Formula

SMILES

C1CC(CC1C(=O)O)F

InChI

InChI=1S/C6H9FO2/c7-5-2-1-4(3-5)6(8)9/h4-5H,1-3H2,(H,8,9)

InChIKey

HMWIEXZISHZBTQ-UHFFFAOYSA-N

Compound name

3-fluorocyclopentane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 44
Patents: 132.05865 Da
Monoisotopic Mass: 1.0
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]+	133.065926	124.7
[M+Na]+	155.047868	131.7
[M-H]-	131.051374	125.5
[M+NH4]+	150.092473	147.6
[M+K]+	171.021808	130.7
[M+H-H2O]+	115.055910	119.4
[M+HCOO]-	177.056851	145.1
[M+CH3COO]-	191.072501	168.2
[M+Na-2H]-	153.033316	127.2
[M]+	132.05810142	120.1
[M]-	132.05919858	120.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe