CID 3061816

79781-89-8

Structural Information

Molecular Formula
C16H14F2O3
SMILES
CC(C)(C(=O)O)OC1=CC=C(C=C1)C2=C(C=C(C=C2)F)F
InChI
InChI=1S/C16H14F2O3/c1-16(2,15(19)20)21-12-6-3-10(4-7-12)13-8-5-11(17)9-14(13)18/h3-9H,1-2H3,(H,19,20)
InChIKey
LACINKODGAVMPX-UHFFFAOYSA-N
Compound name
2-[4-(2,4-difluorophenyl)phenoxy]-2-methylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.0911 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.09838 163.1
[M+Na]+ 315.08032 171.5
[M-H]- 291.08382 166.4
[M+NH4]+ 310.12492 178.0
[M+K]+ 331.05426 167.6
[M+H-H2O]+ 275.08836 154.5
[M+HCOO]- 337.08930 181.4
[M+CH3COO]- 351.10495 200.9
[M+Na-2H]- 313.06577 165.9
[M]+ 292.09055 162.4
[M]- 292.09165 162.4
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.