CID 1545717

404-98-8

Structural Information

Molecular Formula
C8H7FO3
SMILES
C1=CC(=CC(=C1)F)OCC(=O)O
InChI
InChI=1S/C8H7FO3/c9-6-2-1-3-7(4-6)12-5-8(10)11/h1-4H,5H2,(H,10,11)
InChIKey
DMYZZZCPJOWSNT-UHFFFAOYSA-N
Compound name
2-(3-fluorophenoxy)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

280
Patents

170.03792 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.04520 133.0
[M+Na]+ 193.02714 144.3
[M+NH4]+ 188.07174 140.1
[M+K]+ 209.00108 139.2
[M-H]- 169.03064 132.4
[M+Na-2H]- 191.01259 138.5
[M]+ 170.03737 134.1
[M]- 170.03847 134.1
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