CID 83396439

2-(2,3,6-trifluorophenoxy)acetic acid

Structural Information

Molecular Formula
C8H5F3O3
SMILES
C1=CC(=C(C(=C1F)OCC(=O)O)F)F
InChI
InChI=1S/C8H5F3O3/c9-4-1-2-5(10)8(7(4)11)14-3-6(12)13/h1-2H,3H2,(H,12,13)
InChIKey
NKFUVORSWCBZCN-UHFFFAOYSA-N
Compound name
2-(2,3,6-trifluorophenoxy)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.01907 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.02635 144.4
[M+Na]+ 229.00829 153.7
[M+NH4]+ 224.05289 149.3
[M+K]+ 244.98223 149.2
[M-H]- 205.01179 140.7
[M+Na-2H]- 226.99374 147.3
[M]+ 206.01852 144.3
[M]- 206.01962 144.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.