CID 9815728

1807901-38-7

Structural Information

Molecular Formula

C₁₁H₁₃FO₃

SMILES

C1=CC(=CC=C1[C@H](CCCC(=O)O)O)F

InChI

InChI=1S/C11H13FO3/c12-9-6-4-8(5-7-9)10(13)2-1-3-11(14)15/h4-7,10,13H,1-3H2,(H,14,15)/t10-/m0/s1

InChIKey

FSXKAGUHLIGGRG-JTQLQIEISA-N

Compound name

(5S)-5-(4-fluorophenyl)-5-hydroxypentanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 212.08487 Da
Monoisotopic Mass: 1.4
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]+	213.09215	146.9
[M+Na]+	235.07409	156.7
[M+NH4]+	230.11869	153.0
[M+K]+	251.04803	152.0
[M-H]-	211.07759	145.4
[M+Na-2H]-	233.05954	150.6
[M]+	212.08432	147.5
[M]-	212.08542	147.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe