CID 2734670

5-(4-fluorophenyl)pentanoic acid

Structural Information

Molecular Formula
C11H13FO2
SMILES
C1=CC(=CC=C1CCCCC(=O)O)F
InChI
InChI=1S/C11H13FO2/c12-10-7-5-9(6-8-10)3-1-2-4-11(13)14/h5-8H,1-4H2,(H,13,14)
InChIKey
BXEFPLJKYWEEAN-UHFFFAOYSA-N
Compound name
5-(4-fluorophenyl)pentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

160
Patents

196.08995 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.097226 141.4
[M+Na]+ 219.079168 148.5
[M-H]- 195.082674 142.2
[M+NH4]+ 214.123773 160.1
[M+K]+ 235.053108 145.6
[M+H-H2O]+ 179.087210 134.8
[M+HCOO]- 241.088151 162.4
[M+CH3COO]- 255.103801 182.5
[M+Na-2H]- 217.064616 145.5
[M]+ 196.08940142 140.9
[M]- 196.09049858 140.9
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