CID 67617

3-fluorophenylacetic acid

Structural Information

Molecular Formula
C8H7FO2
SMILES
C1=CC(=CC(=C1)F)CC(=O)O
InChI
InChI=1S/C8H7FO2/c9-7-3-1-2-6(4-7)5-8(10)11/h1-4H,5H2,(H,10,11)
InChIKey
YEAUYVGUXSZCFI-UHFFFAOYSA-N
Compound name
2-(3-fluorophenyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

2166
Patents

154.04301 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.05029 129.9
[M+Na]+ 177.03223 141.7
[M+NH4]+ 172.07683 137.6
[M+K]+ 193.00617 136.1
[M-H]- 153.03573 129.8
[M+Na-2H]- 175.01768 135.9
[M]+ 154.04246 131.3
[M]- 154.04356 131.3
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