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

20
Patents

212.08487 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.092146 145.2
[M+Na]+ 235.074088 151.5
[M-H]- 211.077594 144.6
[M+NH4]+ 230.118693 162.4
[M+K]+ 251.048028 148.8
[M+H-H2O]+ 195.082130 138.7
[M+HCOO]- 257.083071 163.9
[M+CH3COO]- 271.098721 182.9
[M+Na-2H]- 233.059536 147.5
[M]+ 212.08432142 143.6
[M]- 212.08541858 143.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe