CID 63941500

3-(2,4-difluorophenoxy)benzoic acid

Structural Information

Molecular Formula
C13H8F2O3
SMILES
C1=CC(=CC(=C1)OC2=C(C=C(C=C2)F)F)C(=O)O
InChI
InChI=1S/C13H8F2O3/c14-9-4-5-12(11(15)7-9)18-10-3-1-2-8(6-10)13(16)17/h1-7H,(H,16,17)
InChIKey
WXFZXDGVXKSJOZ-UHFFFAOYSA-N
Compound name
3-(2,4-difluorophenoxy)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.04414 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.05142 149.3
[M+Na]+ 273.03336 158.7
[M-H]- 249.03686 152.9
[M+NH4]+ 268.07796 165.8
[M+K]+ 289.00730 154.9
[M+H-H2O]+ 233.04140 140.7
[M+HCOO]- 295.04234 170.2
[M+CH3COO]- 309.05799 191.5
[M+Na-2H]- 271.01881 152.9
[M]+ 250.04359 148.1
[M]- 250.04469 148.1
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.