CID 12602115

2-fluoro-2-phenoxyacetic acid

Structural Information

Molecular Formula
C8H7FO3
SMILES
C1=CC=C(C=C1)OC(C(=O)O)F
InChI
InChI=1S/C8H7FO3/c9-7(8(10)11)12-6-4-2-1-3-5-6/h1-5,7H,(H,10,11)
InChIKey
HEXSLVTZXWZKHY-UHFFFAOYSA-N
Compound name
2-fluoro-2-phenoxyacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

71
Patents

170.03792 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.04520 131.2
[M+Na]+ 193.02714 138.3
[M-H]- 169.03064 132.2
[M+NH4]+ 188.07174 150.5
[M+K]+ 209.00108 137.2
[M+H-H2O]+ 153.03518 124.8
[M+HCOO]- 215.03612 152.4
[M+CH3COO]- 229.05177 175.2
[M+Na-2H]- 191.01259 136.4
[M]+ 170.03737 130.0
[M]- 170.03847 130.0
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