CID 79366260

1512046-62-6

Structural Information

Molecular Formula

C₇H₁₁FO₃

SMILES

C1CCC(C1)(C(C(=O)O)F)O

InChI

InChI=1S/C7H11FO3/c8-5(6(9)10)7(11)3-1-2-4-7/h5,11H,1-4H2,(H,9,10)

InChIKey

HSLWZMBAUQYKNT-UHFFFAOYSA-N

Compound name

2-fluoro-2-(1-hydroxycyclopentyl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 162.06923 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]+	163.07651	133.7
[M+Na]+	185.05845	139.5
[M-H]-	161.06195	132.9
[M+NH4]+	180.10305	156.2
[M+K]+	201.03239	138.4
[M+H-H2O]+	145.06649	129.1
[M+HCOO]-	207.06743	151.4
[M+CH3COO]-	221.08308	170.0
[M+Na-2H]-	183.04390	135.8
[M]+	162.06868	128.3
[M]-	162.06978	128.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.