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

197
Patents

196.08995 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.09723 141.4
[M+Na]+ 219.07917 148.5
[M-H]- 195.08267 142.2
[M+NH4]+ 214.12377 160.1
[M+K]+ 235.05311 145.6
[M+H-H2O]+ 179.08721 134.8
[M+HCOO]- 241.08815 162.4
[M+CH3COO]- 255.10380 182.5
[M+Na-2H]- 217.06462 145.5
[M]+ 196.08940 140.9
[M]- 196.09050 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