CID 9978

2-fluoro-3-phenylpropanoic acid

Structural Information

Molecular Formula
C9H9FO2
SMILES
C1=CC=C(C=C1)CC(C(=O)O)F
InChI
InChI=1S/C9H9FO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6H2,(H,11,12)
InChIKey
SFJKLGCBWSLDGQ-UHFFFAOYSA-N
Compound name
2-fluoro-3-phenylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

96
Patents

168.05865 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.06593 132.9
[M+Na]+ 191.04787 139.6
[M-H]- 167.05137 133.7
[M+NH4]+ 186.09247 152.3
[M+K]+ 207.02181 137.7
[M+H-H2O]+ 151.05591 126.5
[M+HCOO]- 213.05685 153.5
[M+CH3COO]- 227.07250 176.2
[M+Na-2H]- 189.03332 137.5
[M]+ 168.05810 130.6
[M]- 168.05920 130.6
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