CID 223072

399-44-0

Structural Information

Molecular Formula
C8H6F2O3
SMILES
C1=CC(=C(C=C1F)F)OCC(=O)O
InChI
InChI=1S/C8H6F2O3/c9-5-1-2-7(6(10)3-5)13-4-8(11)12/h1-3H,4H2,(H,11,12)
InChIKey
XNQGDQMMYURPJK-UHFFFAOYSA-N
Compound name
2-(2,4-difluorophenoxy)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

132
Patents

188.0285 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.035776 132.2
[M+Na]+ 211.017718 141.5
[M-H]- 187.021224 132.5
[M+NH4]+ 206.062323 151.4
[M+K]+ 226.991658 139.5
[M+H-H2O]+ 171.025760 125.2
[M+HCOO]- 233.026701 153.4
[M+CH3COO]- 247.042351 179.5
[M+Na-2H]- 209.003166 136.7
[M]+ 188.02795142 131.3
[M]- 188.02904858 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