CID 2723915

2-(4-fluorophenyl)propionic acid

Structural Information

Molecular Formula
C9H9FO2
SMILES
CC(C1=CC=C(C=C1)F)C(=O)O
InChI
InChI=1S/C9H9FO2/c1-6(9(11)12)7-2-4-8(10)5-3-7/h2-6H,1H3,(H,11,12)
InChIKey
IXSCGBODJGIJNN-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

448
Patents

168.05865 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.06593 131.9
[M+Na]+ 191.04787 139.7
[M-H]- 167.05137 133.3
[M+NH4]+ 186.09247 151.8
[M+K]+ 207.02181 137.8
[M+H-H2O]+ 151.05591 125.9
[M+HCOO]- 213.05685 152.6
[M+CH3COO]- 227.07250 177.4
[M+Na-2H]- 189.03332 136.0
[M]+ 168.05810 130.1
[M]- 168.05920 130.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe