CID 67882

4-fluorophenoxyacetic acid

Structural Information

Molecular Formula
C8H7FO3
SMILES
C1=CC(=CC=C1OCC(=O)O)F
InChI
InChI=1S/C8H7FO3/c9-6-1-3-7(4-2-6)12-5-8(10)11/h1-4H,5H2,(H,10,11)
InChIKey
ZBIULCVFFJJYTN-UHFFFAOYSA-N
Compound name
2-(4-fluorophenoxy)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1002
Patents

170.03792 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.04520 130.3
[M+Na]+ 193.02714 138.6
[M-H]- 169.03064 131.6
[M+NH4]+ 188.07174 150.0
[M+K]+ 209.00108 137.0
[M+H-H2O]+ 153.03518 124.0
[M+HCOO]- 215.03612 152.5
[M+CH3COO]- 229.05177 175.5
[M+Na-2H]- 191.01259 136.0
[M]+ 170.03737 130.2
[M]- 170.03847 130.2
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