CID 43345526

2-(3,4-difluorophenoxy)-2-phenylacetic acid

Structural Information

Molecular Formula
C14H10F2O3
SMILES
C1=CC=C(C=C1)C(C(=O)O)OC2=CC(=C(C=C2)F)F
InChI
InChI=1S/C14H10F2O3/c15-11-7-6-10(8-12(11)16)19-13(14(17)18)9-4-2-1-3-5-9/h1-8,13H,(H,17,18)
InChIKey
PQXORHRYFJUBNP-UHFFFAOYSA-N
Compound name
2-(3,4-difluorophenoxy)-2-phenylacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.0598 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.06708 154.4
[M+Na]+ 287.04902 162.1
[M-H]- 263.05252 157.5
[M+NH4]+ 282.09362 169.9
[M+K]+ 303.02296 158.5
[M+H-H2O]+ 247.05706 145.5
[M+HCOO]- 309.05800 174.0
[M+CH3COO]- 323.07365 194.2
[M+Na-2H]- 285.03447 157.0
[M]+ 264.05925 152.6
[M]- 264.06035 152.6
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.